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

C20H19N3O3 — CID 57329512

IUPAC3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
SMILESCOc1cccc(C2CCN(C(=O)c3nc4ccccc4[nH]c3=O)C2)c1
InChIInChI=1S/C20H19N3O3/c1-26-15-6-4-5-13(11-15)14-9-10-23(12-14)20(25)18-19(24)22-17-8-3-2-7-16(17)21-18/h2-8,11,14H,9-10,12H2,1H3,(H,22,24)
InChIKeyHDHHSSLEOPWREG-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.56
Rot. Bonds3

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

3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one (PubChem CID 57329512) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
PubChem CID57329512
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
SMILESCOc1cccc(C2CCN(C(=O)c3nc4ccccc4[nH]c3=O)C2)c1
InChIInChI=1S/C20H19N3O3/c1-26-15-6-4-5-13(11-15)14-9-10-23(12-14)20(25)18-19(24)22-17-8-3-2-7-16(17)21-18/h2-8,11,14H,9-10,12H2,1H3,(H,22,24)
InChIKeyHDHHSSLEOPWREG-UHFFFAOYSA-N
XLogP2.56
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-3-yl]benzoic acid
CID 97199385
1H-benzimidazol-2-yl-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 126451843
1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 126451844
N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide
CID 91791993
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 33121432
(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 41172691
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone
CID 46851997
3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 90505815
3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one
CID 5018476
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one (CID 57329512) is 3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one is COc1cccc(C2CCN(C(=O)c3nc4ccccc4[nH]c3=O)C2)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
The InChIKey is HDHHSSLEOPWREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-26-15-6-4-5-13(11-15)14-9-10-23(12-14)20(25)18-19(24)22-17-8-3-2-7-16(17)21-18/h2-8,11,14H,9-10,12H2,1H3,(H,22,24).
What are the key properties of 3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 57329512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).