(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone

C24H27N3O — CID 56800405

IUPAC(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
SMILESCCC(c1ccccc1)C1CCCN1C(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C24H27N3O/c1-4-20(18-9-6-5-7-10-18)23-11-8-14-27(23)24(28)19-12-13-21-22(15-19)26-17(3)16(2)25-21/h5-7,9-10,12-13,15,20,23H,4,8,11,14H2,1-3H3
InChIKeyPJRFFRWOPQMPKG-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.05
Rot. Bonds4

About (2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone

(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone (PubChem CID 56800405) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
PubChem CID56800405
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
SMILESCCC(c1ccccc1)C1CCCN1C(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C24H27N3O/c1-4-20(18-9-6-5-7-10-18)23-11-8-14-27(23)24(28)19-12-13-21-22(15-19)26-17(3)16(2)25-21/h5-7,9-10,12-13,15,20,23H,4,8,11,14H2,1-3H3
InChIKeyPJRFFRWOPQMPKG-UHFFFAOYSA-N
XLogP5.05
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592234
(3-methoxyphenyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592187
N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 95592222
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 96997050
(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592245
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592365
(5-methylpyrazin-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 94801465
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 95592243
(4-morpholin-4-ylsulfonylphenyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 56800413
2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one
CID 95592322
(4-bromo-1H-pyrrol-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 97025872

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone (CID 56800405) is (2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone is CCC(c1ccccc1)C1CCCN1C(=O)c1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of (2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone?
The InChIKey is PJRFFRWOPQMPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-4-20(18-9-6-5-7-10-18)23-11-8-14-27(23)24(28)19-12-13-21-22(15-19)26-17(3)16(2)25-21/h5-7,9-10,12-13,15,20,23H,4,8,11,14H2,1-3H3.
What are the key properties of (2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone?
(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56800405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).