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

C24H18N2O5 — CID 174532638

IUPAC1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C(=O)Nc2ccccc2-c2ccc(CO)cc2)c2ccccc2c1=O
InChIInChI=1S/C24H18N2O5/c27-14-15-9-11-16(12-10-15)17-5-1-3-7-20(17)25-24(31)26-13-19(23(29)30)22(28)18-6-2-4-8-21(18)26/h1-13,27H,14H2,(H,25,31)(H,29,30)
InChIKeyJVDFFBQGLZYIBA-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.94
Rot. Bonds4

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

1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 174532638) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is 1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID174532638
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Name1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C(=O)Nc2ccccc2-c2ccc(CO)cc2)c2ccccc2c1=O
InChIInChI=1S/C24H18N2O5/c27-14-15-9-11-16(12-10-15)17-5-1-3-7-20(17)25-24(31)26-13-19(23(29)30)22(28)18-6-2-4-8-21(18)26/h1-13,27H,14H2,(H,25,31)(H,29,30)
InChIKeyJVDFFBQGLZYIBA-UHFFFAOYSA-N
XLogP3.94
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.94
H-Bond Donors ≤ 53
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-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532573
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-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532634
1-[(2,5-diethoxyphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174519555
1-[[4-(benzenesulfonyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532542
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
4-oxo-1-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoyl]quinoline-3-carboxylic acid
CID 174519668
1-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532607
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid (CID 174532638) is 1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C(=O)Nc2ccccc2-c2ccc(CO)cc2)c2ccccc2c1=O.
What is the InChIKey of 1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is JVDFFBQGLZYIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5/c27-14-15-9-11-16(12-10-15)17-5-1-3-7-20(17)25-24(31)26-13-19(23(29)30)22(28)18-6-2-4-8-21(18)26/h1-13,27H,14H2,(H,25,31)(H,29,30).
What are the key properties of 1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid?
1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 414.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(hydroxymethyl)phenyl]phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 174532638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).