propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate

C233H237Cl9N36O31S — CID 158096423

IUPACpropyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cc(C)n(C)c4C)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cc[nH]c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(C(=O)CC5CC5)cc4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(C(=O)NCC)cc4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5[nH]cc(C)c5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5nc(C)oc5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5nc(C)sc5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5ncn(C)c5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5ocnc5c4)nc3c2)CC1
InChIInChI=1S/C29H30ClN3O4.C27H29ClN4O4.C27H27ClN4O3.C26H26ClN5O3.C26H25ClN4O4.C26H25ClN4O3S.C25H23ClN4O4.C25H29ClN4O3.C22H23ClN4O3/c1-2-15-37-29(36)33-13-11-32(12-14-33)28(35)22-9-10-23-24(30)18-25(31-26(23)17-22)20-5-7-21(8-6-20)27(34)16-19-3-4-19;1-3-15-36-27(35)32-13-11-31(12-14-32)26(34)20-9-10-21-22(28)17-23(30-24(21)16-20)18-5-7-19(8-6-18)25(33)29-4-2;1-3-12-35-27(34)32-10-8-31(9-11-32)26(33)19-4-6-20-22(28)15-24(30-25(20)14-19)18-5-7-23-21(13-18)17(2)16-29-23;1-3-12-35-26(34)32-10-8-31(9-11-32)25(33)18-4-6-19-20(27)15-22(29-23(19)13-18)17-5-7-21-24(14-17)30(2)16-28-21;2*1-3-12-34-26(33)31-10-8-30(9-11-31)25(32)18-4-6-19-20(27)15-22(29-23(19)13-18)17-5-7-21-24(14-17)35-16(2)28-21;1-2-11-33-25(32)30-9-7-29(8-10-30)24(31)17-3-5-18-19(26)14-20(28-21(18)13-17)16-4-6-23-22(12-16)27-15-34-23;1-5-12-33-25(32)30-10-8-29(9-11-30)24(31)18-6-7-19-21(26)15-23(27-22(19)14-18)20-13-16(2)28(4)17(20)3;1-2-11-30-22(29)27-9-7-26(8-10-27)21(28)15-3-4-17-18(23)13-19(25-20(17)12-15)16-5-6-24-14-16/h5-10,17-19H,2-4,11-16H2,1H3;5-10,16-17H,3-4,11-15H2,1-2H3,(H,29,33);4-7,13-16,29H,3,8-12H2,1-2H3;4-7,13-16H,3,8-12H2,1-2H3;2*4-7,13-15H,3,8-12H2,1-2H3;3-6,12-15H,2,7-11H2,1H3;6-7,13-15H,5,8-12H2,1-4H3;3-6,12-14,24H,2,7-11H2,1H3
InChIKeyFOSKZDMSDQTCIA-UHFFFAOYSA-N
MW4388.82 g/mol
LogP45.94
Rot. Bonds41

About propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate

propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate (PubChem CID 158096423) has the molecular formula C233H237Cl9N36O31S and a molecular weight of 4388.82 g/mol. Its IUPAC name is propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate
PubChem CID158096423
Molecular FormulaC233H237Cl9N36O31S
Molecular Weight4388.82 g/mol
Exact Mass4381.50
IUPAC Namepropyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cc(C)n(C)c4C)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cc[nH]c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(C(=O)CC5CC5)cc4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(C(=O)NCC)cc4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5[nH]cc(C)c5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5nc(C)oc5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5nc(C)sc5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5ncn(C)c5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5ocnc5c4)nc3c2)CC1
InChIInChI=1S/C29H30ClN3O4.C27H29ClN4O4.C27H27ClN4O3.C26H26ClN5O3.C26H25ClN4O4.C26H25ClN4O3S.C25H23ClN4O4.C25H29ClN4O3.C22H23ClN4O3/c1-2-15-37-29(36)33-13-11-32(12-14-33)28(35)22-9-10-23-24(30)18-25(31-26(23)17-22)20-5-7-21(8-6-20)27(34)16-19-3-4-19;1-3-15-36-27(35)32-13-11-31(12-14-32)26(34)20-9-10-21-22(28)17-23(30-24(21)16-20)18-5-7-19(8-6-18)25(33)29-4-2;1-3-12-35-27(34)32-10-8-31(9-11-32)26(33)19-4-6-20-22(28)15-24(30-25(20)14-19)18-5-7-23-21(13-18)17(2)16-29-23;1-3-12-35-26(34)32-10-8-31(9-11-32)25(33)18-4-6-19-20(27)15-22(29-23(19)13-18)17-5-7-21-24(14-17)30(2)16-28-21;2*1-3-12-34-26(33)31-10-8-30(9-11-31)25(32)18-4-6-19-20(27)15-22(29-23(19)13-18)17-5-7-21-24(14-17)35-16(2)28-21;1-2-11-33-25(32)30-9-7-29(8-10-30)24(31)17-3-5-18-19(26)14-20(28-21(18)13-17)16-4-6-23-22(12-16)27-15-34-23;1-5-12-33-25(32)30-10-8-29(9-11-30)24(31)18-6-7-19-21(26)15-23(27-22(19)14-18)20-13-16(2)28(4)17(20)3;1-2-11-30-22(29)27-9-7-26(8-10-27)21(28)15-3-4-17-18(23)13-19(25-20(17)12-15)16-5-6-24-14-16/h5-10,17-19H,2-4,11-16H2,1H3;5-10,16-17H,3-4,11-15H2,1-2H3,(H,29,33);4-7,13-16,29H,3,8-12H2,1-2H3;4-7,13-16H,3,8-12H2,1-2H3;2*4-7,13-15H,3,8-12H2,1-2H3;3-6,12-15H,2,7-11H2,1H3;6-7,13-15H,5,8-12H2,1-4H3;3-6,12-14,24H,2,7-11H2,1H3
InChIKeyFOSKZDMSDQTCIA-UHFFFAOYSA-N
XLogP45.94
TPSA730.11 Ų
H-Bond Donors3
H-Bond Acceptors47
Rotatable Bonds41
Heavy Atoms310
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004388.82
LogP ≤ 545.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1047

Analyze propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

3-(1,3-benzoxazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one;3-(5,6-difluoro-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1-methylbenzimidazol-2-yl)propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one;[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1,3-thiazol-5-yl)propan-1-one;[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 160394205
2-[9-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-8-isoquinolin-1-yl-4-(7H-purin-2-yl)phenazin-2-yl]-1,3-benzoxazole
CID 140988242
2-[7-(1,3-benzothiazol-2-yl)-4-isoquinolin-1-yl-8-(1H-pyrrol-2-yl)-5-quinolin-2-yl-2-quinoxalin-2-ylquinazolin-6-yl]-1,3-benzoxazole
CID 141055149
2-[6-(1,3-Benzothiazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzoxazole;2-[1,6-bis(9,9-dimethylacridin-10-yl)-8-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenanthren-3-yl]-[1,3]oxazolo[5,4-b]pyridine;10-[6-(9,9-dimethylacridin-10-yl)-3,8-bis(1-phenylbenzimidazol-2-yl)phenanthren-1-yl]-9,9-dimethylacridine
CID 157063066
4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride
CID 157099246
3,9-dimethylcarbazole;3,5-dimethyl-2H-1,3-oxazole;1-methoxy-4-methylbenzene;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;4-methyl-2H-imidazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methylisoindole;1-methylnaphthalene;2-methylpyrimidine;5-methylpyrimidine;6-methylpyrrolo[3,4-b]pyrazine;bis(6-methylpyrrolo[3,4-b]pyridine);2-methylpyrrolo[3,4-c]pyridine;2-methylquinazoline;2-methylquinoxaline;2-methyl-4,5,6,7-tetrahydroisoindole;N,N,4-trimethylaniline
CID 157161544
4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;hydrochloride
CID 157193654
ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157249492
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
CID 157260635
2-[4-anthracen-9-yl-6-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-[3-(1,10-phenanthrolin-5-yl)-5-(9-phenyl-7H-purin-9-ium-8-yl)phenyl]-1,3-benzothiazole;1-phenyl-2-[2-pyren-1-yl-6-(1,4,5-triphenylimidazol-2-yl)pyrimidin-4-yl]benzimidazole
CID 157260970
4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;8-chloro-6-propan-2-ylquinoline;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline
CID 157265856
2-[6-(1,3-Benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 157314659

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate?
The IUPAC name of propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate (CID 158096423) is propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate is CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cc(C)n(C)c4C)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4cc[nH]c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(C(=O)CC5CC5)cc4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(C(=O)NCC)cc4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5[nH]cc(C)c5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5nc(C)oc5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5nc(C)sc5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5ncn(C)c5c4)nc3c2)CC1.CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc5ocnc5c4)nc3c2)CC1.
What is the InChIKey of propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate?
The InChIKey is FOSKZDMSDQTCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O4.C27H29ClN4O4.C27H27ClN4O3.C26H26ClN5O3.C26H25ClN4O4.C26H25ClN4O3S.C25H23ClN4O4.C25H29ClN4O3.C22H23ClN4O3/c1-2-15-37-29(36)33-13-11-32(12-14-33)28(35)22-9-10-23-24(30)18-25(31-26(23)17-22)20-5-7-21(8-6-20)27(34)16-19-3-4-19;1-3-15-36-27(35)32-13-11-31(12-14-32)26(34)20-9-10-21-22(28)17-23(30-24(21)16-20)18-5-7-19(8-6-18)25(33)29-4-2;1-3-12-35-27(34)32-10-8-31(9-11-32)26(33)19-4-6-20-22(28)15-24(30-25(20)14-19)18-5-7-23-21(13-18)17(2)16-29-23;1-3-12-35-26(34)32-10-8-31(9-11-32)25(33)18-4-6-19-20(27)15-22(29-23(19)13-18)17-5-7-21-24(14-17)30(2)16-28-21;2*1-3-12-34-26(33)31-10-8-30(9-11-31)25(32)18-4-6-19-20(27)15-22(29-23(19)13-18)17-5-7-21-24(14-17)35-16(2)28-21;1-2-11-33-25(32)30-9-7-29(8-10-30)24(31)17-3-5-18-19(26)14-20(28-21(18)13-17)16-4-6-23-22(12-16)27-15-34-23;1-5-12-33-25(32)30-10-8-29(9-11-30)24(31)18-6-7-19-21(26)15-23(27-22(19)14-18)20-13-16(2)28(4)17(20)3;1-2-11-30-22(29)27-9-7-26(8-10-27)21(28)15-3-4-17-18(23)13-19(25-20(17)12-15)16-5-6-24-14-16/h5-10,17-19H,2-4,11-16H2,1H3;5-10,16-17H,3-4,11-15H2,1-2H3,(H,29,33);4-7,13-16,29H,3,8-12H2,1-2H3;4-7,13-16H,3,8-12H2,1-2H3;2*4-7,13-15H,3,8-12H2,1-2H3;3-6,12-15H,2,7-11H2,1H3;6-7,13-15H,5,8-12H2,1-4H3;3-6,12-14,24H,2,7-11H2,1H3.
What are the key properties of propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate?
propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate has a molecular weight of 4388.82 g/mol, XLogP of 45.94, 41 rotatable bonds, 3 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 158096423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).