8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline

C74H67ClF3N7O — CID 158273275

IUPAC8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline

SMILESCOc1cc(C)cc2cccnc12.Cc1cc(C(F)(F)F)c2ncccc2c1.Cc1cc(C)c2ccccc2n1.Cc1cc(C)c2ncccc2c1.Cc1cc(Cl)c2ncccc2c1.Cc1ccc2ncccc2c1.Cc1cccc2ncccc12

InChIInChI=1S/C11H8F3N.C11H11NO.2C11H11N.C10H8ClN.2C10H9N/c1-7-5-8-3-2-4-15-10(8)9(6-7)11(12,13)14;1-8-6-9-4-3-5-12-11(9)10(7-8)13-2;1-8-6-9(2)11-10(7-8)4-3-5-12-11;1-8-7-9(2)12-11-6-4-3-5-10(8)11;1-7-5-8-3-2-4-12-10(8)9(11)6-7;1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-4-5-10-9(7-8)3-2-6-11-10/h2-6H,1H3;3-7H,1-2H3;2*3-7H,1-2H3;2-6H,1H3;2*2-7H,1H3

InChIKeyGJHPFQSAPNOTEV-UHFFFAOYSA-N

MW1162.84 g/mol

LogP20.10

Rot. Bonds1

About 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline

8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline (PubChem CID 158273275) has the molecular formula C74H67ClF3N7O and a molecular weight of 1162.84 g/mol. Its IUPAC name is 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name	8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline
PubChem CID	158273275
Molecular Formula	C74H67ClF3N7O
Molecular Weight	1162.84 g/mol
Exact Mass	1161.50
IUPAC Name	8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline
SMILES	COc1cc(C)cc2cccnc12.Cc1cc(C(F)(F)F)c2ncccc2c1.Cc1cc(C)c2ccccc2n1.Cc1cc(C)c2ncccc2c1.Cc1cc(Cl)c2ncccc2c1.Cc1ccc2ncccc2c1.Cc1cccc2ncccc12
InChI	InChI=1S/C11H8F3N.C11H11NO.2C11H11N.C10H8ClN.2C10H9N/c1-7-5-8-3-2-4-15-10(8)9(6-7)11(12,13)14;1-8-6-9-4-3-5-12-11(9)10(7-8)13-2;1-8-6-9(2)11-10(7-8)4-3-5-12-11;1-8-7-9(2)12-11-6-4-3-5-10(8)11;1-7-5-8-3-2-4-12-10(8)9(11)6-7;1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-4-5-10-9(7-8)3-2-6-11-10/h2-6H,1H3;3-7H,1-2H3;23-7H,1-2H3;2-6H,1H3;22-7H,1H3
InChIKey	GJHPFQSAPNOTEV-UHFFFAOYSA-N
XLogP	20.10
TPSA	99.46 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	1
Heavy Atoms	86
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1162.84
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline?

The IUPAC name of 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline (CID 158273275) is 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline.

What is the SMILES notation for 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline?

The canonical SMILES for 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline is COc1cc(C)cc2cccnc12.Cc1cc(C(F)(F)F)c2ncccc2c1.Cc1cc(C)c2ccccc2n1.Cc1cc(C)c2ncccc2c1.Cc1cc(Cl)c2ncccc2c1.Cc1ccc2ncccc2c1.Cc1cccc2ncccc12.

What is the InChIKey of 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline?

The InChIKey is GJHPFQSAPNOTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N.C11H11NO.2C11H11N.C10H8ClN.2C10H9N/c1-7-5-8-3-2-4-15-10(8)9(6-7)11(12,13)14;1-8-6-9-4-3-5-12-11(9)10(7-8)13-2;1-8-6-9(2)11-10(7-8)4-3-5-12-11;1-8-7-9(2)12-11-6-4-3-5-10(8)11;1-7-5-8-3-2-4-12-10(8)9(11)6-7;1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-4-5-10-9(7-8)3-2-6-11-10/h2-6H,1H3;3-7H,1-2H3;2*3-7H,1-2H3;2-6H,1H3;2*2-7H,1H3.

What are the key properties of 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline?

8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline has a molecular weight of 1162.84 g/mol, XLogP of 20.10, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 158273275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).