3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole

C215H303Cl9N24O7 — CID 160718630

IUPAC3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole
SMILESCC(C)C1=CC=C(C(C)C)C(=O)C1.CC(C)c1cc(Cl)c(Cl)cn1.CC(C)c1cc2cc(Cl)ccc2[nH]c1=O.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1ncn(C(C)C)n1.COc1cc2[nH]c(=O)c(C(C)C)cc2cc1Cl.COc1cc2ccc(C(C)C)cc2cc1Cl.COc1cc2ncc(C(C)C)cc2cc1Cl.Cc1cc(C(C)C)ncc1Cl
InChIInChI=1S/C16H20.C14H15ClO.C13H14ClNO2.C13H14ClNO.C12H12ClNO.C12H18O.C12H18.C11H17NO.2C11H17N.3C10H16N2.C9H10Cl2.C9H12ClN.2C9H16N2.C8H9Cl2N.2C8H15N3/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-9(2)10-4-5-11-8-14(16-3)13(15)7-12(11)6-10;1-7(2)9-4-8-5-10(14)12(17-3)6-11(8)15-13(9)16;1-8(2)10-4-9-5-11(14)13(16-3)6-12(9)15-7-10;1-7(2)10-6-8-5-9(13)3-4-11(8)14-12(10)15;1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-6-10(8(3)4)12-11(9)13;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)9-4-7(3)8(10)5-11-9;2*1-7(2)9-5-11(6-10-9)8(3)4;1-5(2)8-3-6(9)7(10)4-11-8;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8/h5-12H,1-4H3;4-9H,1-3H3;4-7H,1-3H3,(H,15,16);4-8H,1-3H3;3-7H,1-2H3,(H,14,15);5-6,8-9H,7H2,1-4H3;5-10H,1-4H3;5-8H,1-4H3,(H,12,13);2*5-9H,1-4H3;3*5-8H,1-4H3;3-6H,1-2H3;4-6H,1-3H3;2*5-8H,1-4H3;3-5H,1-2H3;2*5-7H,1-4H3
InChIKeyRSUNDFQXVYGBJX-UHFFFAOYSA-N
MW3655.03 g/mol
LogP64.79
Rot. Bonds36

About 3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole

3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole (PubChem CID 160718630) has the molecular formula C215H303Cl9N24O7 and a molecular weight of 3655.03 g/mol. Its IUPAC name is 3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole.

Molecular Properties

Compound Name3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole
PubChem CID160718630
Molecular FormulaC215H303Cl9N24O7
Molecular Weight3655.03 g/mol
Exact Mass3648.13
IUPAC Name3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole
SMILESCC(C)C1=CC=C(C(C)C)C(=O)C1.CC(C)c1cc(Cl)c(Cl)cn1.CC(C)c1cc2cc(Cl)ccc2[nH]c1=O.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1ncn(C(C)C)n1.COc1cc2[nH]c(=O)c(C(C)C)cc2cc1Cl.COc1cc2ccc(C(C)C)cc2cc1Cl.COc1cc2ncc(C(C)C)cc2cc1Cl.Cc1cc(C(C)C)ncc1Cl
InChIInChI=1S/C16H20.C14H15ClO.C13H14ClNO2.C13H14ClNO.C12H12ClNO.C12H18O.C12H18.C11H17NO.2C11H17N.3C10H16N2.C9H10Cl2.C9H12ClN.2C9H16N2.C8H9Cl2N.2C8H15N3/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-9(2)10-4-5-11-8-14(16-3)13(15)7-12(11)6-10;1-7(2)9-4-8-5-10(14)12(17-3)6-11(8)15-13(9)16;1-8(2)10-4-9-5-11(14)13(16-3)6-12(9)15-7-10;1-7(2)10-6-8-5-9(13)3-4-11(8)14-12(10)15;1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-6-10(8(3)4)12-11(9)13;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)9-4-7(3)8(10)5-11-9;2*1-7(2)9-5-11(6-10-9)8(3)4;1-5(2)8-3-6(9)7(10)4-11-8;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8/h5-12H,1-4H3;4-9H,1-3H3;4-7H,1-3H3,(H,15,16);4-8H,1-3H3;3-7H,1-2H3,(H,14,15);5-6,8-9H,7H2,1-4H3;5-10H,1-4H3;5-8H,1-4H3,(H,12,13);2*5-9H,1-4H3;3*5-8H,1-4H3;3-6H,1-2H3;4-6H,1-3H3;2*5-8H,1-4H3;3-5H,1-2H3;2*5-7H,1-4H3
InChIKeyRSUNDFQXVYGBJX-UHFFFAOYSA-N
XLogP64.79
TPSA382.19 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003655.03
LogP ≤ 564.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole with MolForge

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Related Compounds

6-chloro-7-methoxy-3-propan-2-yl-1,2-dihydroquinoline;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;4,5-dichloro-2-propan-2-ylpyridine;1-(4-fluoro-3-methylphenyl)-4-propan-2-ylimidazole;2-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyridazine;1-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1,2,4-triazole;5-phenoxy-2-propan-2-ylpyridine;4-propan-2-yl-1-[4-(trifluoromethyl)phenyl]triazole
CID 161559894
1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole
CID 162055770
6-bromo-2-propan-2-ylimidazo[1,2-a]pyridine;6-bromo-3-propan-2-yl-1H-quinolin-2-one;3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;1,6-di(propan-2-yl)indole;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;2-fluoro-1,4-di(propan-2-yl)benzene;4-methyl-2,5-di(propan-2-yl)pyridine;2-phenyl-1,4-di(propan-2-yl)benzene;3-propan-2-yl-1H-quinolin-2-one
CID 157602402
6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole
CID 161389292

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole?
The IUPAC name of 3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole (CID 160718630) is 3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole.
What is the SMILES notation for 3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole?
The canonical SMILES for 3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole is CC(C)C1=CC=C(C(C)C)C(=O)C1.CC(C)c1cc(Cl)c(Cl)cn1.CC(C)c1cc2cc(Cl)ccc2[nH]c1=O.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1ncn(C(C)C)n1.COc1cc2[nH]c(=O)c(C(C)C)cc2cc1Cl.COc1cc2ccc(C(C)C)cc2cc1Cl.COc1cc2ncc(C(C)C)cc2cc1Cl.Cc1cc(C(C)C)ncc1Cl.
What is the InChIKey of 3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole?
The InChIKey is RSUNDFQXVYGBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20.C14H15ClO.C13H14ClNO2.C13H14ClNO.C12H12ClNO.C12H18O.C12H18.C11H17NO.2C11H17N.3C10H16N2.C9H10Cl2.C9H12ClN.2C9H16N2.C8H9Cl2N.2C8H15N3/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-9(2)10-4-5-11-8-14(16-3)13(15)7-12(11)6-10;1-7(2)9-4-8-5-10(14)12(17-3)6-11(8)15-13(9)16;1-8(2)10-4-9-5-11(14)13(16-3)6-12(9)15-7-10;1-7(2)10-6-8-5-9(13)3-4-11(8)14-12(10)15;1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-6-10(8(3)4)12-11(9)13;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)9-4-7(3)8(10)5-11-9;2*1-7(2)9-5-11(6-10-9)8(3)4;1-5(2)8-3-6(9)7(10)4-11-8;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8/h5-12H,1-4H3;4-9H,1-3H3;4-7H,1-3H3,(H,15,16);4-8H,1-3H3;3-7H,1-2H3,(H,14,15);5-6,8-9H,7H2,1-4H3;5-10H,1-4H3;5-8H,1-4H3,(H,12,13);2*5-9H,1-4H3;3*5-8H,1-4H3;3-6H,1-2H3;4-6H,1-3H3;2*5-8H,1-4H3;3-5H,1-2H3;2*5-7H,1-4H3.
What are the key properties of 3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole?
3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole has a molecular weight of 3655.03 g/mol, XLogP of 64.79, 36 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole is sourced from PubChem (CID 160718630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).