6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one

C24H27N3O4 — CID 32909071

IUPAC6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)ccc21
InChIInChI=1S/C24H27N3O4/c1-5-26-20-10-8-17(13-18(20)25-15(2)23(26)28)24(29)27-12-6-7-19(27)16-9-11-21(30-3)22(14-16)31-4/h8-11,13-14,19H,5-7,12H2,1-4H3/t19-/m0/s1
InChIKeyBURMKINSLBRINN-IBGZPJMESA-N
MW421.50 g/mol
LogP3.72
Rot. Bonds5

About 6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one

6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one (PubChem CID 32909071) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
PubChem CID32909071
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)ccc21
InChIInChI=1S/C24H27N3O4/c1-5-26-20-10-8-17(13-18(20)25-15(2)23(26)28)24(29)27-12-6-7-19(27)16-9-11-21(30-3)22(14-16)31-4/h8-11,13-14,19H,5-7,12H2,1-4H3/t19-/m0/s1
InChIKeyBURMKINSLBRINN-IBGZPJMESA-N
XLogP3.72
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 42936298
5-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 125145135
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
(3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 42938983
(4-butoxy-3-methoxyphenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 112766788
[4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methylurea
CID 42938821
N-[[4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 18154932
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 46603357
2-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974677
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 29357961
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
CID 94618354

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one?
The IUPAC name of 6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one (CID 32909071) is 6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one.
What is the SMILES notation for 6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one?
The canonical SMILES for 6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one is CCn1c(=O)c(C)nc2cc(C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)ccc21.
What is the InChIKey of 6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one?
The InChIKey is BURMKINSLBRINN-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N3O4/c1-5-26-20-10-8-17(13-18(20)25-15(2)23(26)28)24(29)27-12-6-7-19(27)16-9-11-21(30-3)22(14-16)31-4/h8-11,13-14,19H,5-7,12H2,1-4H3/t19-/m0/s1.
What are the key properties of 6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one?
6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one has a molecular weight of 421.50 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one is sourced from PubChem (CID 32909071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).