7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one

C13H18N4O2 — CID 11379998

IUPAC7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one
SMILESCOCCCNc1cc2nc(C)c(=O)[nH]c2cc1N
InChIInChI=1S/C13H18N4O2/c1-8-13(18)17-11-6-9(14)10(7-12(11)16-8)15-4-3-5-19-2/h6-7,15H,3-5,14H2,1-2H3,(H,17,18)
InChIKeyPRLIECLFIXMSES-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.26
Rot. Bonds5

About 7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one

7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one (PubChem CID 11379998) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one
PubChem CID11379998
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one
SMILESCOCCCNc1cc2nc(C)c(=O)[nH]c2cc1N
InChIInChI=1S/C13H18N4O2/c1-8-13(18)17-11-6-9(14)10(7-12(11)16-8)15-4-3-5-19-2/h6-7,15H,3-5,14H2,1-2H3,(H,17,18)
InChIKeyPRLIECLFIXMSES-UHFFFAOYSA-N
XLogP1.26
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one?
The IUPAC name of 7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one (CID 11379998) is 7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one.
What is the SMILES notation for 7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one?
The canonical SMILES for 7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one is COCCCNc1cc2nc(C)c(=O)[nH]c2cc1N.
What is the InChIKey of 7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one?
The InChIKey is PRLIECLFIXMSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-13(18)17-11-6-9(14)10(7-12(11)16-8)15-4-3-5-19-2/h6-7,15H,3-5,14H2,1-2H3,(H,17,18).
What are the key properties of 7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one?
7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one is sourced from PubChem (CID 11379998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).