6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid

C17H12ClNO2 — CID 3348265

IUPAC6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1cccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C17H12ClNO2/c1-10-3-2-4-11(7-10)16-9-14(17(20)21)13-8-12(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21)
InChIKeyYNSCJHCAYOGRHL-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.56
Rot. Bonds2

About 6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid

6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid (PubChem CID 3348265) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
PubChem CID3348265
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1cccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C17H12ClNO2/c1-10-3-2-4-11(7-10)16-9-14(17(20)21)13-8-12(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21)
InChIKeyYNSCJHCAYOGRHL-UHFFFAOYSA-N
XLogP4.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)methanamine;2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 19715573
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
2-(3-methylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4272780
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
6-chloro-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid
CID 7454997
6-chloro-2-[3-(5-formylfuran-2-yl)phenyl]quinoline-4-carboxylic acid
CID 169334493
2-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-6-chloroquinoline-4-carboxylic acid
CID 169367984
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid (CID 3348265) is 6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid is Cc1cccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)c1.
What is the InChIKey of 6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid?
The InChIKey is YNSCJHCAYOGRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-10-3-2-4-11(7-10)16-9-14(17(20)21)13-8-12(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21).
What are the key properties of 6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid?
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3348265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).