7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C16H20FN3O2 — CID 119539545

IUPAC7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNCC1CCN(C(=O)C2CC(=O)Nc3cc(F)ccc32)C1
InChIInChI=1S/C16H20FN3O2/c1-18-8-10-4-5-20(9-10)16(22)13-7-15(21)19-14-6-11(17)2-3-12(13)14/h2-3,6,10,13,18H,4-5,7-9H2,1H3,(H,19,21)
InChIKeyRGIPOKHPMXHIGN-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.32
Rot. Bonds3

About 7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 119539545) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID119539545
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNCC1CCN(C(=O)C2CC(=O)Nc3cc(F)ccc32)C1
InChIInChI=1S/C16H20FN3O2/c1-18-8-10-4-5-20(9-10)16(22)13-7-15(21)19-14-6-11(17)2-3-12(13)14/h2-3,6,10,13,18H,4-5,7-9H2,1H3,(H,19,21)
InChIKeyRGIPOKHPMXHIGN-UHFFFAOYSA-N
XLogP1.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119541751
7-fluoro-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119649614
7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78843557
7-fluoro-4-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 111434115
(4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 96542496
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
(4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 136801291
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 119435412
7-fluoro-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 78870079
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134576
1-(2,4-difluorophenyl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119540176
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 119539545) is 7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is CNCC1CCN(C(=O)C2CC(=O)Nc3cc(F)ccc32)C1.
What is the InChIKey of 7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RGIPOKHPMXHIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-18-8-10-4-5-20(9-10)16(22)13-7-15(21)19-14-6-11(17)2-3-12(13)14/h2-3,6,10,13,18H,4-5,7-9H2,1H3,(H,19,21).
What are the key properties of 7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 305.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 119539545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).