1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid

C19H16N2O4 — CID 174532573

IUPAC1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
SMILESCCc1ccccc1NC(=O)n1cc(C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C19H16N2O4/c1-2-12-7-3-5-9-15(12)20-19(25)21-11-14(18(23)24)17(22)13-8-4-6-10-16(13)21/h3-11H,2H2,1H3,(H,20,25)(H,23,24)
InChIKeySOPCCNWFMCXODW-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.34
Rot. Bonds3

About 1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid

1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 174532573) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID174532573
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
SMILESCCc1ccccc1NC(=O)n1cc(C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C19H16N2O4/c1-2-12-7-3-5-9-15(12)20-19(25)21-11-14(18(23)24)17(22)13-8-4-6-10-16(13)21/h3-11H,2H2,1H3,(H,20,25)(H,23,24)
InChIKeySOPCCNWFMCXODW-UHFFFAOYSA-N
XLogP3.34
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174692298
1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532638
1-[(2,5-diethoxyphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174519555
1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532634
4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid
CID 174532619
1-[[5-amino-2-(4-ethoxyphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174519567
1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532548
1-[[3-(methanesulfonamido)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174519620
1-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532607
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid
CID 174519668
1-[[3-hydroxy-4-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174519610

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid (CID 174532573) is 1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid is CCc1ccccc1NC(=O)n1cc(C(=O)O)c(=O)c2ccccc21.
What is the InChIKey of 1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is SOPCCNWFMCXODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-12-7-3-5-9-15(12)20-19(25)21-11-14(18(23)24)17(22)13-8-4-6-10-16(13)21/h3-11H,2H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid?
1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 174532573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).