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

C21H19FN2O3 — CID 70756728

IUPAC7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESCOc1cccc(C2CCCN2C(=O)c2cc(=O)[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C21H19FN2O3/c1-27-15-5-2-4-13(10-15)19-6-3-9-24(19)21(26)17-12-20(25)23-18-11-14(22)7-8-16(17)18/h2,4-5,7-8,10-12,19H,3,6,9H2,1H3,(H,23,25)
InChIKeyLJBFENFZEWQVRH-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.65
Rot. Bonds3

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

7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 70756728) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID70756728
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESCOc1cccc(C2CCCN2C(=O)c2cc(=O)[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C21H19FN2O3/c1-27-15-5-2-4-13(10-15)19-6-3-9-24(19)21(26)17-12-20(25)23-18-11-14(22)7-8-16(17)18/h2,4-5,7-8,10-12,19H,3,6,9H2,1H3,(H,23,25)
InChIKeyLJBFENFZEWQVRH-UHFFFAOYSA-N
XLogP3.65
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51929591
(6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92627940
3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 51091748
6-[2-(3-methoxyphenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70774580
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one
CID 99944641
3-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 94578408
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 119435559
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one (CID 70756728) is 7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one is COc1cccc(C2CCCN2C(=O)c2cc(=O)[nH]c3cc(F)ccc23)c1.
What is the InChIKey of 7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is LJBFENFZEWQVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-27-15-5-2-4-13(10-15)19-6-3-9-24(19)21(26)17-12-20(25)23-18-11-14(22)7-8-16(17)18/h2,4-5,7-8,10-12,19H,3,6,9H2,1H3,(H,23,25).
What are the key properties of 7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 366.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 70756728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).