8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline

C17H13Cl2NO — CID 68877483

IUPAC8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline
SMILESCOc1ccc(Cl)c(-c2cc(C)nc3c(Cl)cccc23)c1
InChIInChI=1S/C17H13Cl2NO/c1-10-8-13(12-4-3-5-16(19)17(12)20-10)14-9-11(21-2)6-7-15(14)18/h3-9H,1-2H3
InChIKeyUMMODETVQWZAKJ-UHFFFAOYSA-N
MW318.20 g/mol
LogP5.53
Rot. Bonds2

About 8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline

8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline (PubChem CID 68877483) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline.

Molecular Properties

Compound Name8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline
PubChem CID68877483
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline
SMILESCOc1ccc(Cl)c(-c2cc(C)nc3c(Cl)cccc23)c1
InChIInChI=1S/C17H13Cl2NO/c1-10-8-13(12-4-3-5-16(19)17(12)20-10)14-9-11(21-2)6-7-15(14)18/h3-9H,1-2H3
InChIKeyUMMODETVQWZAKJ-UHFFFAOYSA-N
XLogP5.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.20
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol
CID 68879203
[4-chloro-3-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]phenyl] trifluoromethanesulfonate
CID 87609515
2-(2-chloro-5-methoxyphenyl)-6-methylpyridine;ethane
CID 144911954
8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779499
1-(8-chloro-2-methylquinolin-4-yl)ethanol
CID 82576032
4-(2,5-dichlorophenyl)-2-methylquinoline
CID 118801749
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
2-(2,3-dichlorophenyl)-4-methoxy-6-methylpyridine
CID 118813607
methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate
CID 53113369
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
4-(2-chloro-5-methoxyphenyl)pyridine
CID 46316938
8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one
CID 162391518

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline?
The IUPAC name of 8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline (CID 68877483) is 8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline.
What is the SMILES notation for 8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline?
The canonical SMILES for 8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline is COc1ccc(Cl)c(-c2cc(C)nc3c(Cl)cccc23)c1.
What is the InChIKey of 8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline?
The InChIKey is UMMODETVQWZAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c1-10-8-13(12-4-3-5-16(19)17(12)20-10)14-9-11(21-2)6-7-15(14)18/h3-9H,1-2H3.
What are the key properties of 8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline?
8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline has a molecular weight of 318.20 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline is sourced from PubChem (CID 68877483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).