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

C21H20N2O3 — CID 51091748

IUPAC3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
SMILESCOc1cccc(C2CCCN2C(=O)c2c[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C21H20N2O3/c1-26-15-7-4-6-14(12-15)19-10-5-11-23(19)21(25)17-13-22-18-9-3-2-8-16(18)20(17)24/h2-4,6-9,12-13,19H,5,10-11H2,1H3,(H,22,24)
InChIKeyFDCRJCNWHLDOAL-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.51
Rot. Bonds3

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

3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 51091748) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID51091748
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
SMILESCOc1cccc(C2CCCN2C(=O)c2c[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C21H20N2O3/c1-26-15-7-4-6-14(12-15)19-10-5-11-23(19)21(25)17-13-22-18-9-3-2-8-16(18)20(17)24/h2-4,6-9,12-13,19H,5,10-11H2,1H3,(H,22,24)
InChIKeyFDCRJCNWHLDOAL-UHFFFAOYSA-N
XLogP3.51
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51929591
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
3-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 94578408
7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 70756728
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one
CID 56818810
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1H-indol-3-yl)methanone
CID 17421277
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
2-(azetidin-3-ylidene)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 116676267

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one (CID 51091748) is 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one is COc1cccc(C2CCCN2C(=O)c2c[nH]c3ccccc3c2=O)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is FDCRJCNWHLDOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-26-15-7-4-6-14(12-15)19-10-5-11-23(19)21(25)17-13-22-18-9-3-2-8-16(18)20(17)24/h2-4,6-9,12-13,19H,5,10-11H2,1H3,(H,22,24).
What are the key properties of 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one?
3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 348.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 51091748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).