6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid

C17H12ClNO2 — CID 626798

IUPAC6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)
InChIKeyDTGFDMHLQGULMA-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.56
Rot. Bonds2

About 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid

6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid (PubChem CID 626798) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
PubChem CID626798
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)
InChIKeyDTGFDMHLQGULMA-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

ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 8966053
6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide
CID 24614620
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 16590137
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 44791570
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-quinolin-4-ylprop-2-en-1-one
CID 47081868
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 6278543
6-chloro-4-phenyl-2-(1,1,1-trifluoropropan-2-yloxy)quinoline-3-carboxylic acid
CID 71556622
1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 3385049
6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
CID 8966744
1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone
CID 139937864
6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 4787383

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid (CID 626798) is 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid is Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid?
The InChIKey is DTGFDMHLQGULMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21).
What are the key properties of 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid?
6-chloro-2-methyl-4-phenylquinoline-3-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-methyl-4-phenylquinoline-3-carboxylic acid is sourced from PubChem (CID 626798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).