1-amino-3-propylquinoxalin-2-one

C11H13N3O — CID 123596583

IUPAC1-amino-3-propylquinoxalin-2-one
SMILESCCCc1nc2ccccc2n(N)c1=O
InChIInChI=1S/C11H13N3O/c1-2-5-9-11(15)14(12)10-7-4-3-6-8(10)13-9/h3-4,6-7H,2,5,12H2,1H3
InChIKeyIOCNOCWJMMRLGG-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.06
Rot. Bonds2

About 1-amino-3-propylquinoxalin-2-one

1-amino-3-propylquinoxalin-2-one (PubChem CID 123596583) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-amino-3-propylquinoxalin-2-one.

Molecular Properties

Compound Name1-amino-3-propylquinoxalin-2-one
PubChem CID123596583
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-amino-3-propylquinoxalin-2-one
SMILESCCCc1nc2ccccc2n(N)c1=O
InChIInChI=1S/C11H13N3O/c1-2-5-9-11(15)14(12)10-7-4-3-6-8(10)13-9/h3-4,6-7H,2,5,12H2,1H3
InChIKeyIOCNOCWJMMRLGG-UHFFFAOYSA-N
XLogP1.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid
CID 126704621
2-N-ethylbenzimidazole-1,2-diamine
CID 45078021
3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
CID 2432558
1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one
CID 162372194
12,14-dimethyl-17-(4-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
CID 5014915
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
3-amino-2-heptylquinazolin-4-one
CID 154013236
ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate
CID 4640836
2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 112632185
1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one
CID 116626986
2-amino-N-ethylbenzimidazole-1-carboxamide
CID 12526522

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-propylquinoxalin-2-one?
The IUPAC name of 1-amino-3-propylquinoxalin-2-one (CID 123596583) is 1-amino-3-propylquinoxalin-2-one.
What is the SMILES notation for 1-amino-3-propylquinoxalin-2-one?
The canonical SMILES for 1-amino-3-propylquinoxalin-2-one is CCCc1nc2ccccc2n(N)c1=O.
What is the InChIKey of 1-amino-3-propylquinoxalin-2-one?
The InChIKey is IOCNOCWJMMRLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-5-9-11(15)14(12)10-7-4-3-6-8(10)13-9/h3-4,6-7H,2,5,12H2,1H3.
What are the key properties of 1-amino-3-propylquinoxalin-2-one?
1-amino-3-propylquinoxalin-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-propylquinoxalin-2-one is sourced from PubChem (CID 123596583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).