4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid

C17H11Cl2NO2 — CID 67961064

IUPAC4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid
SMILESCc1cc(C(=O)O)cc2c(-c3ccc(Cl)cc3Cl)ccnc12
InChIInChI=1S/C17H11Cl2NO2/c1-9-6-10(17(21)22)7-14-12(4-5-20-16(9)14)13-3-2-11(18)8-15(13)19/h2-8H,1H3,(H,21,22)
InChIKeyBYUWGSXFEJOBCZ-UHFFFAOYSA-N
MW332.19 g/mol
LogP5.22
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid

4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid (PubChem CID 67961064) has the molecular formula C17H11Cl2NO2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid
PubChem CID67961064
Molecular FormulaC17H11Cl2NO2
Molecular Weight332.19 g/mol
Exact Mass331.02
IUPAC Name4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid
SMILESCc1cc(C(=O)O)cc2c(-c3ccc(Cl)cc3Cl)ccnc12
InChIInChI=1S/C17H11Cl2NO2/c1-9-6-10(17(21)22)7-14-12(4-5-20-16(9)14)13-3-2-11(18)8-15(13)19/h2-8H,1H3,(H,21,22)
InChIKeyBYUWGSXFEJOBCZ-UHFFFAOYSA-N
XLogP5.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.19
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-2-methylphenyl)-N-(diaminomethylidene)-8-methylquinoline-6-carboxamide
CID 67961440
4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid
CID 67961965
4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid
CID 67961044
6-amino-5-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087190
4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide
CID 88535454
2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
CID 118853015
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 172914048
4-(2-chloro-3-fluorophenyl)-N-(diaminomethylidene)-8-methylquinoline-6-carboxamide
CID 67961420
3-chloro-5-(2,4-dichlorophenyl)benzoic acid
CID 53227684
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid?
The IUPAC name of 4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid (CID 67961064) is 4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid?
The canonical SMILES for 4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid is Cc1cc(C(=O)O)cc2c(-c3ccc(Cl)cc3Cl)ccnc12.
What is the InChIKey of 4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid?
The InChIKey is BYUWGSXFEJOBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO2/c1-9-6-10(17(21)22)7-14-12(4-5-20-16(9)14)13-3-2-11(18)8-15(13)19/h2-8H,1H3,(H,21,22).
What are the key properties of 4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid?
4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid has a molecular weight of 332.19 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid is sourced from PubChem (CID 67961064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).