6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide

C15H15FN2O2 — CID 110464461

IUPAC6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2cc(F)ccc2n1
InChIInChI=1S/C15H15FN2O2/c16-11-4-6-13-10(8-11)3-5-14(18-13)15(19)17-9-12-2-1-7-20-12/h3-6,8,12H,1-2,7,9H2,(H,17,19)
InChIKeyNCTDESYJIVLIRW-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.28
Rot. Bonds3

About 6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide

6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide (PubChem CID 110464461) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
PubChem CID110464461
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2cc(F)ccc2n1
InChIInChI=1S/C15H15FN2O2/c16-11-4-6-13-10(8-11)3-5-14(18-13)15(19)17-9-12-2-1-7-20-12/h3-6,8,12H,1-2,7,9H2,(H,17,19)
InChIKeyNCTDESYJIVLIRW-UHFFFAOYSA-N
XLogP2.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95155012
6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115068
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 127266585
1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 40789452
1-(6-fluoro-1,3-benzothiazol-2-yl)-3-(oxolan-2-ylmethyl)urea
CID 17435912
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206768
5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 146080052
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343891

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of 6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide (CID 110464461) is 6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide is O=C(NCC1CCCO1)c1ccc2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide?
The InChIKey is NCTDESYJIVLIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-4-6-13-10(8-11)3-5-14(18-13)15(19)17-9-12-2-1-7-20-12/h3-6,8,12H,1-2,7,9H2,(H,17,19).
What are the key properties of 6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide?
6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 110464461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).