1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one

C18H25N3O2 — CID 95971935

IUPAC1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one
SMILESCC(C)[C@H]1CN(C(=O)CCN2CCCC2=O)c2ccccc2N1
InChIInChI=1S/C18H25N3O2/c1-13(2)15-12-21(16-7-4-3-6-14(16)19-15)18(23)9-11-20-10-5-8-17(20)22/h3-4,6-7,13,15,19H,5,8-12H2,1-2H3/t15-/m1/s1
InChIKeyGAAAWYUCSGPDPD-OAHLLOKOSA-N
MW315.42 g/mol
LogP2.48
Rot. Bonds4

About 1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one

1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 95971935) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one
PubChem CID95971935
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one
SMILESCC(C)[C@H]1CN(C(=O)CCN2CCCC2=O)c2ccccc2N1
InChIInChI=1S/C18H25N3O2/c1-13(2)15-12-21(16-7-4-3-6-14(16)19-15)18(23)9-11-20-10-5-8-17(20)22/h3-4,6-7,13,15,19H,5,8-12H2,1-2H3/t15-/m1/s1
InChIKeyGAAAWYUCSGPDPD-OAHLLOKOSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one (CID 95971935) is 1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one is CC(C)[C@H]1CN(C(=O)CCN2CCCC2=O)c2ccccc2N1.
What is the InChIKey of 1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is GAAAWYUCSGPDPD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)15-12-21(16-7-4-3-6-14(16)19-15)18(23)9-11-20-10-5-8-17(20)22/h3-4,6-7,13,15,19H,5,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one?
1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 95971935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).