4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide

C15H18N2O3 — CID 54684045

IUPAC4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CCNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-9(2)7-8-16-14(19)12-13(18)10-5-3-4-6-11(10)17-15(12)20/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyGCDVEVQNLOXYAO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.01
Rot. Bonds4

About 4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide

4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54684045) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54684045
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CCNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-9(2)7-8-16-14(19)12-13(18)10-5-3-4-6-11(10)17-15(12)20/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyGCDVEVQNLOXYAO-UHFFFAOYSA-N
XLogP2.01
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide (CID 54684045) is 4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide is CC(C)CCNC(=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GCDVEVQNLOXYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)7-8-16-14(19)12-13(18)10-5-3-4-6-11(10)17-15(12)20/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H2,17,18,20).
What are the key properties of 4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide?
4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54684045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).