2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone

C23H29N3O2 — CID 110361453

IUPAC2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(CCN3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C23H29N3O2/c1-28-20-10-8-19(9-11-20)18-23(27)26-17-16-25(15-14-24-12-4-5-13-24)21-6-2-3-7-22(21)26/h2-3,6-11H,4-5,12-18H2,1H3
InChIKeyUIVUUBXQBFQJFM-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.19
Rot. Bonds6

About 2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 110361453) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID110361453
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(CCN3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C23H29N3O2/c1-28-20-10-8-19(9-11-20)18-23(27)26-17-16-25(15-14-24-12-4-5-13-24)21-6-2-3-7-22(21)26/h2-3,6-11H,4-5,12-18H2,1H3
InChIKeyUIVUUBXQBFQJFM-UHFFFAOYSA-N
XLogP3.19
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361480
1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
CID 110361424
(2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 110361448
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740
(4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 110361439
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110358678
2-(4-aminophenyl)-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)ethanone;dihydrochloride
CID 119883791
4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one
CID 110713507
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methoxyphenyl)ethanone
CID 744395
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107030058
2,2-dimethyl-1-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361546

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone (CID 110361453) is 2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone is COc1ccc(CC(=O)N2CCN(CCN3CCCC3)c3ccccc32)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is UIVUUBXQBFQJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-20-10-8-19(9-11-20)18-23(27)26-17-16-25(15-14-24-12-4-5-13-24)21-6-2-3-7-22(21)26/h2-3,6-11H,4-5,12-18H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 379.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 110361453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).