N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

C17H14N2O3 — CID 54680441

IUPACN-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H14N2O3/c20-15-12-8-4-5-9-13(12)19-17(22)14(15)16(21)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)(H2,19,20,22)
InChIKeyWKAZEVUZAKRWHB-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.16
Rot. Bonds3

About N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54680441) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54680441
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H14N2O3/c20-15-12-8-4-5-9-13(12)19-17(22)14(15)16(21)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)(H2,19,20,22)
InChIKeyWKAZEVUZAKRWHB-UHFFFAOYSA-N
XLogP2.16
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54680441) is N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is O=C(NCc1ccccc1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is WKAZEVUZAKRWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-15-12-8-4-5-9-13(12)19-17(22)14(15)16(21)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)(H2,19,20,22).
What are the key properties of N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54680441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).