7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide

C16H17FN2O3 — CID 121495129

IUPAC7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCC1CCCCO1)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H17FN2O3/c17-10-4-5-12-13(8-15(20)19-14(12)7-10)16(21)18-9-11-3-1-2-6-22-11/h4-5,7-8,11H,1-3,6,9H2,(H,18,21)(H,19,20)
InChIKeyGDCOWWIDHDZQDW-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.97
Rot. Bonds3

About 7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide

7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 121495129) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID121495129
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCC1CCCCO1)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H17FN2O3/c17-10-4-5-12-13(8-15(20)19-14(12)7-10)16(21)18-9-11-3-1-2-6-22-11/h4-5,7-8,11H,1-3,6,9H2,(H,18,21)(H,19,20)
InChIKeyGDCOWWIDHDZQDW-UHFFFAOYSA-N
XLogP1.97
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209828
5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95155012
6-(4-fluorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95554649
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
6-morpholin-4-ylsulfonyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 4651455
7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
CID 119387295
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2080081
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
7-fluoro-2-oxo-N-piperidin-3-yl-1H-quinoline-4-carboxamide;hydrochloride
CID 119425856
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 31883592

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide (CID 121495129) is 7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide is O=C(NCC1CCCCO1)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is GDCOWWIDHDZQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-10-4-5-12-13(8-15(20)19-14(12)7-10)16(21)18-9-11-3-1-2-6-22-11/h4-5,7-8,11H,1-3,6,9H2,(H,18,21)(H,19,20).
What are the key properties of 7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide?
7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 121495129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).