4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid

C29H20N2O5 — CID 174532619

IUPAC4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C(=O)Nc2ccccc2-c2ccccc2Oc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C29H20N2O5/c32-27-22-14-5-8-16-25(22)31(18-23(27)28(33)34)29(35)30-24-15-7-4-12-20(24)21-13-6-9-17-26(21)36-19-10-2-1-3-11-19/h1-18H,(H,30,35)(H,33,34)
InChIKeyGZVFAYGLWVPUJD-UHFFFAOYSA-N
MW476.49 g/mol
LogP6.24
Rot. Bonds5

About 4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid

4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid (PubChem CID 174532619) has the molecular formula C29H20N2O5 and a molecular weight of 476.49 g/mol. Its IUPAC name is 4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid
PubChem CID174532619
Molecular FormulaC29H20N2O5
Molecular Weight476.49 g/mol
Exact Mass476.14
IUPAC Name4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C(=O)Nc2ccccc2-c2ccccc2Oc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C29H20N2O5/c32-27-22-14-5-8-16-25(22)31(18-23(27)28(33)34)29(35)30-24-15-7-4-12-20(24)21-13-6-9-17-26(21)36-19-10-2-1-3-11-19/h1-18H,(H,30,35)(H,33,34)
InChIKeyGZVFAYGLWVPUJD-UHFFFAOYSA-N
XLogP6.24
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.49
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532573
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
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 4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid (CID 174532619) is 4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid is O=C(O)c1cn(C(=O)Nc2ccccc2-c2ccccc2Oc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid?
The InChIKey is GZVFAYGLWVPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O5/c32-27-22-14-5-8-16-25(22)31(18-23(27)28(33)34)29(35)30-24-15-7-4-12-20(24)21-13-6-9-17-26(21)36-19-10-2-1-3-11-19/h1-18H,(H,30,35)(H,33,34).
What are the key properties of 4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid?
4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid has a molecular weight of 476.49 g/mol, XLogP of 6.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 174532619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).