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

C15H16N2O4 — CID 54690845

IUPAC4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCC1CCCO1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H16N2O4/c18-13-10-5-1-2-6-11(10)17-15(20)12(13)14(19)16-8-9-4-3-7-21-9/h1-2,5-6,9H,3-4,7-8H2,(H,16,19)(H2,17,18,20)
InChIKeyFDEMXJQNTOXLPK-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.14
Rot. Bonds3

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

4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide (PubChem CID 54690845) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
PubChem CID54690845
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCC1CCCO1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H16N2O4/c18-13-10-5-1-2-6-11(10)17-15(20)12(13)14(19)16-8-9-4-3-7-21-9/h1-2,5-6,9H,3-4,7-8H2,(H,16,19)(H2,17,18,20)
InChIKeyFDEMXJQNTOXLPK-UHFFFAOYSA-N
XLogP1.14
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide (CID 54690845) is 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide is O=C(NCC1CCCO1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide?
The InChIKey is FDEMXJQNTOXLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13-10-5-1-2-6-11(10)17-15(20)12(13)14(19)16-8-9-4-3-7-21-9/h1-2,5-6,9H,3-4,7-8H2,(H,16,19)(H2,17,18,20).
What are the key properties of 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide?
4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54690845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).