1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid

C18H14ClNO3 — CID 82213063

IUPAC1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid
SMILESCc1cc(C(=O)O)cc2ccc(=O)n(Cc3ccccc3Cl)c12
InChIInChI=1S/C18H14ClNO3/c1-11-8-14(18(22)23)9-12-6-7-16(21)20(17(11)12)10-13-4-2-3-5-15(13)19/h2-9H,10H2,1H3,(H,22,23)
InChIKeyYJONRUUXZLPMFX-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.71
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid

1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid (PubChem CID 82213063) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid
PubChem CID82213063
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid
SMILESCc1cc(C(=O)O)cc2ccc(=O)n(Cc3ccccc3Cl)c12
InChIInChI=1S/C18H14ClNO3/c1-11-8-14(18(22)23)9-12-6-7-16(21)20(17(11)12)10-13-4-2-3-5-15(13)19/h2-9H,10H2,1H3,(H,22,23)
InChIKeyYJONRUUXZLPMFX-UHFFFAOYSA-N
XLogP3.71
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947439
8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 82213153
8-ethyl-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947438
8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid
CID 82212983
1-[(2-chlorophenyl)methyl]-2-ethylindole-6-carboxylic acid
CID 150063466
8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947467
2-(3-chloro-4-methylphenyl)-4-[(2-chlorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 46003745
2-acetyl-1-[(2-chlorophenyl)methyl]-3-methylindole-6-carboxylic acid
CID 22627306
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943
3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid
CID 82062900
1-[(2-chlorophenyl)methyl]-2-methylindole
CID 4050112
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid (CID 82213063) is 1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid is Cc1cc(C(=O)O)cc2ccc(=O)n(Cc3ccccc3Cl)c12.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid?
The InChIKey is YJONRUUXZLPMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-11-8-14(18(22)23)9-12-6-7-16(21)20(17(11)12)10-13-4-2-3-5-15(13)19/h2-9H,10H2,1H3,(H,22,23).
What are the key properties of 1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid?
1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid has a molecular weight of 327.77 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid is sourced from PubChem (CID 82213063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).