4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide

C13H14N2O3 — CID 54679386

IUPAC4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide
SMILESCC(C)NC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-7(2)14-12(17)10-11(16)8-5-3-4-6-9(8)15-13(10)18/h3-7H,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyNDBCQYVVMLIKRI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.37
Rot. Bonds2

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

4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide (PubChem CID 54679386) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide
PubChem CID54679386
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide
SMILESCC(C)NC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-7(2)14-12(17)10-11(16)8-5-3-4-6-9(8)15-13(10)18/h3-7H,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyNDBCQYVVMLIKRI-UHFFFAOYSA-N
XLogP1.37
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide (CID 54679386) is 4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide is CC(C)NC(=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide?
The InChIKey is NDBCQYVVMLIKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7(2)14-12(17)10-11(16)8-5-3-4-6-9(8)15-13(10)18/h3-7H,1-2H3,(H,14,17)(H2,15,16,18).
What are the key properties of 4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide?
4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54679386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).