4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one

C17H19FN2O2 — CID 71874791

IUPAC4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2cc(F)ccc12)N1CCCCCCC1
InChIInChI=1S/C17H19FN2O2/c18-12-6-7-13-14(11-16(21)19-15(13)10-12)17(22)20-8-4-2-1-3-5-9-20/h6-7,10-11H,1-5,8-9H2,(H,19,21)
InChIKeyYHZUMYRWTPNNHW-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.07
Rot. Bonds1

About 4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one

4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one (PubChem CID 71874791) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
PubChem CID71874791
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2cc(F)ccc12)N1CCCCCCC1
InChIInChI=1S/C17H19FN2O2/c18-12-6-7-13-14(11-16(21)19-15(13)10-12)17(22)20-8-4-2-1-3-5-9-20/h6-7,10-11H,1-5,8-9H2,(H,19,21)
InChIKeyYHZUMYRWTPNNHW-UHFFFAOYSA-N
XLogP3.07
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 119415623
(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 119174191
7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one
CID 95716840
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131941647
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 120814282
2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 154868364
4-(azepane-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 24539720
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 119435559
4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one
CID 36856446
N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 166211858

Frequently Asked Questions

What is the IUPAC name of 4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one?
The IUPAC name of 4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one (CID 71874791) is 4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one?
The canonical SMILES for 4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2cc(F)ccc12)N1CCCCCCC1.
What is the InChIKey of 4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one?
The InChIKey is YHZUMYRWTPNNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-12-6-7-13-14(11-16(21)19-15(13)10-12)17(22)20-8-4-2-1-3-5-9-20/h6-7,10-11H,1-5,8-9H2,(H,19,21).
What are the key properties of 4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one?
4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one has a molecular weight of 302.35 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 71874791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).