3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one

C22H24N4O — CID 133337054

IUPAC3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESCc1nc2ccccc2nc1NC1CCN(CCCc2ccccc2)C1=O
InChIInChI=1S/C22H24N4O/c1-16-21(24-19-12-6-5-11-18(19)23-16)25-20-13-15-26(22(20)27)14-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,20H,7,10,13-15H2,1H3,(H,24,25)
InChIKeyDKMFCZWUPNWFBR-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.58
Rot. Bonds6

About 3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one

3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one (PubChem CID 133337054) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
PubChem CID133337054
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESCc1nc2ccccc2nc1NC1CCN(CCCc2ccccc2)C1=O
InChIInChI=1S/C22H24N4O/c1-16-21(24-19-12-6-5-11-18(19)23-16)25-20-13-15-26(22(20)27)14-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,20H,7,10,13-15H2,1H3,(H,24,25)
InChIKeyDKMFCZWUPNWFBR-UHFFFAOYSA-N
XLogP3.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133483895
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133337113
1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133337105
1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133418807
5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 133485643
(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
CID 94237309
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 84598997
1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
CID 166232757
3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258511
N-(4-ethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 63539648
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743
1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one
CID 113341915

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one (CID 133337054) is 3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one is Cc1nc2ccccc2nc1NC1CCN(CCCc2ccccc2)C1=O.
What is the InChIKey of 3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
The InChIKey is DKMFCZWUPNWFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-21(24-19-12-6-5-11-18(19)23-16)25-20-13-15-26(22(20)27)14-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,20H,7,10,13-15H2,1H3,(H,24,25).
What are the key properties of 3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one has a molecular weight of 360.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 133337054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).