1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one

C19H22N4O — CID 124927278

IUPAC1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one
SMILESCCCN1C(=O)c2nc3ccccc3nc2/C1=N/C1CCCCC1
InChIInChI=1S/C19H22N4O/c1-2-12-23-18(20-13-8-4-3-5-9-13)16-17(19(23)24)22-15-11-7-6-10-14(15)21-16/h6-7,10-11,13H,2-5,8-9,12H2,1H3/b20-18-
InChIKeyPEJUYPZDHNLGFB-ZZEZOPTASA-N
MW322.41 g/mol
LogP3.57
Rot. Bonds3

About 1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one

1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one (PubChem CID 124927278) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one.

Molecular Properties

Compound Name1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one
PubChem CID124927278
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one
SMILESCCCN1C(=O)c2nc3ccccc3nc2/C1=N/C1CCCCC1
InChIInChI=1S/C19H22N4O/c1-2-12-23-18(20-13-8-4-3-5-9-13)16-17(19(23)24)22-15-11-7-6-10-14(15)21-16/h6-7,10-11,13H,2-5,8-9,12H2,1H3/b20-18-
InChIKeyPEJUYPZDHNLGFB-ZZEZOPTASA-N
XLogP3.57
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one?
The IUPAC name of 1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one (CID 124927278) is 1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one.
What is the SMILES notation for 1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one?
The canonical SMILES for 1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one is CCCN1C(=O)c2nc3ccccc3nc2/C1=N/C1CCCCC1.
What is the InChIKey of 1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one?
The InChIKey is PEJUYPZDHNLGFB-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-12-23-18(20-13-8-4-3-5-9-13)16-17(19(23)24)22-15-11-7-6-10-14(15)21-16/h6-7,10-11,13H,2-5,8-9,12H2,1H3/b20-18-.
What are the key properties of 1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one?
1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one has a molecular weight of 322.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylimino-2-propylpyrrolo[3,4-b]quinoxalin-3-one is sourced from PubChem (CID 124927278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).