6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid

C20H17ClN2O4 — CID 71077439

IUPAC6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1ccccc1CC(=O)NCc1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C20H17ClN2O4/c1-11-4-2-3-5-12(11)9-17(24)22-10-14-7-15(21)6-13-8-16(20(26)27)19(25)23-18(13)14/h2-8H,9-10H2,1H3,(H,22,24)(H,23,25)(H,26,27)
InChIKeyUJWQKZLDLWDZQL-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.05
Rot. Bonds5

About 6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid

6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 71077439) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID71077439
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1ccccc1CC(=O)NCc1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C20H17ClN2O4/c1-11-4-2-3-5-12(11)9-17(24)22-10-14-7-15(21)6-13-8-16(20(26)27)19(25)23-18(13)14/h2-8H,9-10H2,1H3,(H,22,24)(H,23,25)(H,26,27)
InChIKeyUJWQKZLDLWDZQL-UHFFFAOYSA-N
XLogP3.05
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid with MolForge

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Related Compounds

6-chloro-8-[[[2-(4-fluoro-2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077704
6-chloro-2-oxo-8-[[[2-(2,4,5-trifluorophenyl)acetyl]amino]methyl]-1H-quinoline-3-carboxylic acid
CID 71077641
6-chloro-2-oxo-8-[(quinoline-3-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid
CID 71077399
6-chloro-8-[[[2-(4-ethoxy-2,6-difluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077452
6-chloro-8-[[[2-(2,6-difluorophenyl)-2-ethoxyacetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077378
6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid
CID 71077568
6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid
CID 71077330
8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553154
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077296
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113001362
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772085

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid (CID 71077439) is 6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid is Cc1ccccc1CC(=O)NCc1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12.
What is the InChIKey of 6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is UJWQKZLDLWDZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-11-4-2-3-5-12(11)9-17(24)22-10-14-7-15(21)6-13-8-16(20(26)27)19(25)23-18(13)14/h2-8H,9-10H2,1H3,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid?
6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 384.82 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 71077439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).