3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline

C243H296ClF3N24O5 — CID 160570925

IUPAC3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESC=C1C=Cc2cc(C(C)C)c(F)cc2N1.C=C1C=Cc2cc(C(C)C)cc(F)c2N1.C=C1C=Cc2cc(C(C)C)ccc2N1.C=C1C=Cc2cc(C(C)C)ccc2N1C.C=C1C=Cc2cc(C(C)C)cnc2N1.C=C1C=Nc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)cc(F)c2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1C.C=C1COc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2CO1.CC(C)c1ccc2[nH]cc(Cl)c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)C(C)(C)OC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12
InChIInChI=1S/C14H19N.C14H17N.C13H14FN.C13H16FN.C13H14FN.C13H17NO2.C13H17N.C13H15N.2C12H14N2.2C12H15NO.C12H17N.C11H12ClN.2C11H14N2.C11H13NO.3C11H13N/c2*1-10(2)12-7-8-14-13(9-12)6-5-11(3)15(14)4;1-8(2)11-6-10-5-4-9(3)15-13(10)7-12(11)14;2*1-8(2)11-6-10-5-4-9(3)15-13(10)12(14)7-11;1-8(2)9-5-6-11-10(7-9)13(3,4)16-12(15)14-11;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-12(6-10)13-7-9(3)14-11;1-8(2)11-6-10-5-4-9(3)14-12(10)13-7-11;1-8(2)10-4-5-12-11(6-10)7-14-9(3)13-12;1-8(2)10-4-5-11-12(6-10)14-7-9(3)13-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)8-3-4-11-9(5-8)10(12)6-13-11;2*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11/h7-10H,3,5-6H2,1-2,4H3;5-10H,3H2,1-2,4H3;4-8,15H,3H2,1-2H3;6-8,15H,3-5H2,1-2H3;4-8,15H,3H2,1-2H3;5-8H,1-4H3,(H,14,15);6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-8,14H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,13,14);2*4-6,8,13H,3,7H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-7,13H,1-2H3;2*4-7H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);3*3-8,12H,1-2H3
InChIKeyRANQAWJDDQQXQW-UHFFFAOYSA-N
MW3725.65 g/mol
LogP68.41
Rot. Bonds20

About 3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline

3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 160570925) has the molecular formula C243H296ClF3N24O5 and a molecular weight of 3725.65 g/mol. Its IUPAC name is 3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID160570925
Molecular FormulaC243H296ClF3N24O5
Molecular Weight3725.65 g/mol
Exact Mass3722.33
IUPAC Name3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESC=C1C=Cc2cc(C(C)C)c(F)cc2N1.C=C1C=Cc2cc(C(C)C)cc(F)c2N1.C=C1C=Cc2cc(C(C)C)ccc2N1.C=C1C=Cc2cc(C(C)C)ccc2N1C.C=C1C=Cc2cc(C(C)C)cnc2N1.C=C1C=Nc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)cc(F)c2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1C.C=C1COc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2CO1.CC(C)c1ccc2[nH]cc(Cl)c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)C(C)(C)OC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12
InChIInChI=1S/C14H19N.C14H17N.C13H14FN.C13H16FN.C13H14FN.C13H17NO2.C13H17N.C13H15N.2C12H14N2.2C12H15NO.C12H17N.C11H12ClN.2C11H14N2.C11H13NO.3C11H13N/c2*1-10(2)12-7-8-14-13(9-12)6-5-11(3)15(14)4;1-8(2)11-6-10-5-4-9(3)15-13(10)7-12(11)14;2*1-8(2)11-6-10-5-4-9(3)15-13(10)12(14)7-11;1-8(2)9-5-6-11-10(7-9)13(3,4)16-12(15)14-11;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-12(6-10)13-7-9(3)14-11;1-8(2)11-6-10-5-4-9(3)14-12(10)13-7-11;1-8(2)10-4-5-12-11(6-10)7-14-9(3)13-12;1-8(2)10-4-5-11-12(6-10)14-7-9(3)13-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)8-3-4-11-9(5-8)10(12)6-13-11;2*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11/h7-10H,3,5-6H2,1-2,4H3;5-10H,3H2,1-2,4H3;4-8,15H,3H2,1-2H3;6-8,15H,3-5H2,1-2H3;4-8,15H,3H2,1-2H3;5-8H,1-4H3,(H,14,15);6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-8,14H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,13,14);2*4-6,8,13H,3,7H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-7,13H,1-2H3;2*4-7H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);3*3-8,12H,1-2H3
InChIKeyRANQAWJDDQQXQW-UHFFFAOYSA-N
XLogP68.41
TPSA358.44 Ų
H-Bond Donors18
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003725.65
LogP ≤ 568.41
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1021

Analyze 3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea;[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]urea
CID 157481175
[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea;[4-[2-(2,6-dimethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]urea
CID 159910558
N-[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide;N-[2,5-difluoro-4-[5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]acetamide;N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide
CID 163581276
(2S,4R)-N-[(1R)-1-[4-(2-chloro-3-pyridinyl)phenyl]-2-hydroxyethyl]-1-[(2S)-2-[4-[4-[[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]-6-(trifluoromethyl)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170954879
(2S)-N-[(E)-1-[4-(2-chloro-3-pyridinyl)phenyl]-2-hydroxyethenyl]-1-[(2S)-2-[4-[4-[[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)-6-(trifluoromethyl)-1,2-dihydroquinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-1-hydroxy-3-methylbutyl]pyrrolidine-2-carboxamide
CID 170955055
(2S,4R)-N-[(1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-hydroxyethyl]-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170955162
(2S,4R)-N-[(1R)-1-[4-(2-chloro-3-pyridinyl)phenyl]-2-hydroxyethyl]-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170955234
N-[1-[4-(2-chloro-3-pyridinyl)phenyl]-2-hydroxyethyl]-1-[2-[4-[4-[[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]quinazolin-8-yl]oxymethyl]phenyl]-4,5-dihydrotriazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;1,1,1-trifluoroethane
CID 170955299
N-[1-[4-(4-chloro-3-pyridinyl)phenyl]-2-hydroxyethyl]-1-[2-[4-[4-[[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(2-methoxyethoxy)-6-(trifluoromethyl)quinazolin-8-yl]oxymethyl]phenyl]-4,5-dihydrotriazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;ethane
CID 170955347
(2S,4R)-N-[(1R)-1-[4-(3-chloro-2-pyridinyl)phenyl]-2-hydroxyethyl]-1-[(2S)-2-[4-[4-[[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]-6-(trifluoromethyl)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170955365
(2S)-N-[(E)-1-[4-(4-chloropyridazin-3-yl)phenyl]-2-hydroxyethenyl]-1-[(2S)-2-[4-[4-[[4-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]-6-(trifluoromethyl)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170955416
(2S)-N-[(1R)-1-[4-(3-chloropyrazin-2-yl)phenyl]-2-hydroxyethyl]-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 170955503

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 160570925) is 3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline is C=C1C=Cc2cc(C(C)C)c(F)cc2N1.C=C1C=Cc2cc(C(C)C)cc(F)c2N1.C=C1C=Cc2cc(C(C)C)ccc2N1.C=C1C=Cc2cc(C(C)C)ccc2N1C.C=C1C=Cc2cc(C(C)C)cnc2N1.C=C1C=Nc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)cc(F)c2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1C.C=C1COc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2CO1.CC(C)c1ccc2[nH]cc(Cl)c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)C(C)(C)OC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.
What is the InChIKey of 3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is RANQAWJDDQQXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C14H17N.C13H14FN.C13H16FN.C13H14FN.C13H17NO2.C13H17N.C13H15N.2C12H14N2.2C12H15NO.C12H17N.C11H12ClN.2C11H14N2.C11H13NO.3C11H13N/c2*1-10(2)12-7-8-14-13(9-12)6-5-11(3)15(14)4;1-8(2)11-6-10-5-4-9(3)15-13(10)7-12(11)14;2*1-8(2)11-6-10-5-4-9(3)15-13(10)12(14)7-11;1-8(2)9-5-6-11-10(7-9)13(3,4)16-12(15)14-11;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-12(6-10)13-7-9(3)14-11;1-8(2)11-6-10-5-4-9(3)14-12(10)13-7-11;1-8(2)10-4-5-12-11(6-10)7-14-9(3)13-12;1-8(2)10-4-5-11-12(6-10)14-7-9(3)13-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)8-3-4-11-9(5-8)10(12)6-13-11;2*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11/h7-10H,3,5-6H2,1-2,4H3;5-10H,3H2,1-2,4H3;4-8,15H,3H2,1-2H3;6-8,15H,3-5H2,1-2H3;4-8,15H,3H2,1-2H3;5-8H,1-4H3,(H,14,15);6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-8,14H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,13,14);2*4-6,8,13H,3,7H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-7,13H,1-2H3;2*4-7H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);3*3-8,12H,1-2H3.
What are the key properties of 3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 3725.65 g/mol, XLogP of 68.41, 20 rotatable bonds, 18 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 160570925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).