bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline

C188H221Cl2N21O3 — CID 162035197

IUPACbis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)C1CCc2ncccc2C1.CC(C)N1CCc2ncccc2C1.CC(C)c1cc(Cl)c2ncccc2c1.CC(C)c1cc(Cl)c2ncccc2c1.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2c(c1)OCC(=O)N2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2n1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.Cc1c(C(C)C)ccc2ncccc12.Cc1cc2ncccc2cc1C(C)C.Cc1ccnc2ccc(C(C)C)cc12
InChIInChI=1S/3C13H15N.2C12H12ClN.C12H13N.2C12H17N.C12H13N.3C11H12N2.C11H16N2.C11H12N2.C11H13NO2.C11H15NO/c1-9(2)11-4-5-13-12(8-11)10(3)6-7-14-13;1-9(2)11-6-7-13-12(10(11)3)5-4-8-14-13;1-9(2)12-8-11-5-4-6-14-13(11)7-10(12)3;2*1-8(2)10-6-9-4-3-5-14-12(9)11(13)7-10;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-6-10-11(13-9)4-3-7-12-10;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-7(2)8-3-4-9-10(5-8)14-6-11(13)12-9;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10/h3*4-9H,1-3H3;2*3-8H,1-2H3;3-9H,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-9H,1-2H3;3*3-8H,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3-4,7-8,12H,5-6H2,1-2H3
InChIKeyYWOAVZSGRYHNOY-UHFFFAOYSA-N
MW2893.89 g/mol
LogP49.37
Rot. Bonds16

About bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline

bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 162035197) has the molecular formula C188H221Cl2N21O3 and a molecular weight of 2893.89 g/mol. Its IUPAC name is bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Namebis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline
PubChem CID162035197
Molecular FormulaC188H221Cl2N21O3
Molecular Weight2893.89 g/mol
Exact Mass2890.72
IUPAC Namebis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)C1CCc2ncccc2C1.CC(C)N1CCc2ncccc2C1.CC(C)c1cc(Cl)c2ncccc2c1.CC(C)c1cc(Cl)c2ncccc2c1.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2c(c1)OCC(=O)N2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2n1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.Cc1c(C(C)C)ccc2ncccc12.Cc1cc2ncccc2cc1C(C)C.Cc1ccnc2ccc(C(C)C)cc12
InChIInChI=1S/3C13H15N.2C12H12ClN.C12H13N.2C12H17N.C12H13N.3C11H12N2.C11H16N2.C11H12N2.C11H13NO2.C11H15NO/c1-9(2)11-4-5-13-12(8-11)10(3)6-7-14-13;1-9(2)11-6-7-13-12(10(11)3)5-4-8-14-13;1-9(2)12-8-11-5-4-6-14-13(11)7-10(12)3;2*1-8(2)10-6-9-4-3-5-14-12(9)11(13)7-10;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-6-10-11(13-9)4-3-7-12-10;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-7(2)8-3-4-9-10(5-8)14-6-11(13)12-9;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10/h3*4-9H,1-3H3;2*3-8H,1-2H3;3-9H,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-9H,1-2H3;3*3-8H,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3-4,7-8,12H,5-6H2,1-2H3
InChIKeyYWOAVZSGRYHNOY-UHFFFAOYSA-N
XLogP49.37
TPSA293.99 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002893.89
LogP ≤ 549.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline with MolForge

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Launch Full Analysis

Related Compounds

7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157416471
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 159394529
8-Bromo-6-propan-2-ylquinoline;8-chloro-2,4-dimethyl-6-propan-2-ylquinoline;8-chloro-4,6-di(propan-2-yl)quinoline;8-chloro-5-methyl-6-propan-2-yl-4-(trifluoromethyl)quinoline;8-chloro-6-propan-2-ylquinazoline;4,8-dimethyl-6-propan-2-ylquinoline;4-methoxy-6-propan-2-ylquinoline;8-methoxy-6-propan-2-ylquinoline;4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 160480085
8-Bromo-6-propan-2-ylquinoline;8-chloro-2,4-dimethyl-6-propan-2-ylquinoline;8-chloro-4,5-dimethyl-6-propan-2-ylquinoline;8-chloro-4,6-di(propan-2-yl)quinoline;8-chloro-6-propan-2-yl-4-(trifluoromethyl)quinoline;4,8-dimethyl-6-propan-2-ylquinoline;4-methoxy-6-propan-2-ylquinoline;8-methoxy-6-propan-2-ylquinoline;4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline
CID 165049876
3-(2-chloro-6-methylphenyl)-7-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(oxan-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4-propan-2-yl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-7-[4-(1-methylpiperidin-4-yl)anilino]-4-propan-2-yl-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 157125347
3-(2-chloro-6-methylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 157830159
6-chloro-7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1,2-dichloro-3-propan-2-ylbenzene;5,6-dichloro-4-propan-2-ylpyridin-2-amine;2,3-dichloro-4-propan-2-ylpyridine;7,8-dimethyl-6-propan-2-ylquinazoline;2-methanimidoyl-4-propan-2-ylaniline
CID 158001113
3-(2-chloro-6-methylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[(6-piperazin-1-yl-3-pyridinyl)methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 158065132
3-(2-chloro-6-methylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 158352214
6,8-dimethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;5,8-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyridine;ethane;bis(2,3,4,5,6,8-hexamethylquinoline);2,3,4,5,8-pentamethyl-1,6-naphthyridine;2,3,4,6,8-pentamethyl-1,5-naphthyridine;2,4,5,6,8-pentamethylquinazoline;2,3,5,6,8-pentamethylquinoxaline;4,5,6,8-tetramethyl-1,4-benzoxazin-3-one;4,5,6,8-tetramethyl-2,3-dihydro-1,4-benzoxazine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;4,6,8-trimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 158439015
2-chloro-8-methoxyquinoline;2-chloro-7-methylquinoline;N-(6-methoxy-3-pyridinyl)-N,6-dimethylquinolin-2-amine;N-(6-methoxy-3-pyridinyl)-6-methylquinolin-2-amine;8-methoxy-N-pyridin-2-ylquinolin-2-amine;7-methyl-N-pyridin-3-ylquinolin-2-amine;pyridin-2-amine;pyridin-3-amine
CID 158822712
8-chloro-6-propan-2-ylquinoline;4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 158833514

Frequently Asked Questions

What is the IUPAC name of bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline (CID 162035197) is bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline is CC(C)C1CCc2ncccc2C1.CC(C)N1CCc2ncccc2C1.CC(C)c1cc(Cl)c2ncccc2c1.CC(C)c1cc(Cl)c2ncccc2c1.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2c(c1)OCC(=O)N2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2n1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.Cc1c(C(C)C)ccc2ncccc12.Cc1cc2ncccc2cc1C(C)C.Cc1ccnc2ccc(C(C)C)cc12.
What is the InChIKey of bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is YWOAVZSGRYHNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H15N.2C12H12ClN.C12H13N.2C12H17N.C12H13N.3C11H12N2.C11H16N2.C11H12N2.C11H13NO2.C11H15NO/c1-9(2)11-4-5-13-12(8-11)10(3)6-7-14-13;1-9(2)11-6-7-13-12(10(11)3)5-4-8-14-13;1-9(2)12-8-11-5-4-6-14-13(11)7-10(12)3;2*1-8(2)10-6-9-4-3-5-14-12(9)11(13)7-10;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-6-10-11(13-9)4-3-7-12-10;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-7(2)8-3-4-9-10(5-8)14-6-11(13)12-9;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10/h3*4-9H,1-3H3;2*3-8H,1-2H3;3-9H,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-9H,1-2H3;3*3-8H,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline?
bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 2893.89 g/mol, XLogP of 49.37, 16 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-chloro-6-propan-2-ylquinoline);4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;7-propan-2-yl-4H-1,4-benzoxazin-3-one;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline;6-propan-2-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 162035197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).