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

C15H16N2O3 — CID 2977759

IUPAC2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H16N2O3/c18-14-8-12(11-5-1-2-6-13(11)17-14)15(19)16-9-10-4-3-7-20-10/h1-2,5-6,8,10H,3-4,7,9H2,(H,16,19)(H,17,18)
InChIKeyCDBGCPLHOAOUTR-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.44
Rot. Bonds3

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

2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide (PubChem CID 2977759) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
PubChem CID2977759
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H16N2O3/c18-14-8-12(11-5-1-2-6-13(11)17-14)15(19)16-9-10-4-3-7-20-10/h1-2,5-6,8,10H,3-4,7,9H2,(H,16,19)(H,17,18)
InChIKeyCDBGCPLHOAOUTR-UHFFFAOYSA-N
XLogP1.44
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2080081
7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 121495129
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97146965
N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 3383149
3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
6-morpholin-4-ylsulfonyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 4651455
N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 39977666
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135629187
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide (CID 2977759) is 2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide is O=C(NCC1CCCO1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide?
The InChIKey is CDBGCPLHOAOUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14-8-12(11-5-1-2-6-13(11)17-14)15(19)16-9-10-4-3-7-20-10/h1-2,5-6,8,10H,3-4,7,9H2,(H,16,19)(H,17,18).
What are the key properties of 2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide?
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 2977759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).