7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C18H22FN3O2 — CID 136515924

IUPAC7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)N3CCC(N4CCCC4)C3)c(F)cc2N1
InChIInChI=1S/C18H22FN3O2/c19-15-10-16-12(3-4-17(23)20-16)9-14(15)18(24)22-8-5-13(11-22)21-6-1-2-7-21/h9-10,13H,1-8,11H2,(H,20,23)
InChIKeyJYCMMHBCPBMROF-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.02
Rot. Bonds2

About 7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 136515924) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID136515924
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)N3CCC(N4CCCC4)C3)c(F)cc2N1
InChIInChI=1S/C18H22FN3O2/c19-15-10-16-12(3-4-17(23)20-16)9-14(15)18(24)22-8-5-13(11-22)21-6-1-2-7-21/h9-10,13H,1-8,11H2,(H,20,23)
InChIKeyJYCMMHBCPBMROF-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

(3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid
CID 99718262
6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457549
7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 139009064
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 75977527
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113130
6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 139009096
(9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97079605
(5-amino-2-bromo-4-fluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168386
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(5-amino-2,4-difluorophenyl)methanone
CID 61109997
2,3-dihydro-1H-indol-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63166948
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 136515924) is 7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)N3CCC(N4CCCC4)C3)c(F)cc2N1.
What is the InChIKey of 7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JYCMMHBCPBMROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-15-10-16-12(3-4-17(23)20-16)9-14(15)18(24)22-8-5-13(11-22)21-6-1-2-7-21/h9-10,13H,1-8,11H2,(H,20,23).
What are the key properties of 7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 331.39 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 136515924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).