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

C14H20N4O — CID 11219166

IUPAC7-amino-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one
SMILESCCCCCNc1cc2nc(C)c(=O)[nH]c2cc1N
InChIInChI=1S/C14H20N4O/c1-3-4-5-6-16-11-8-13-12(7-10(11)15)18-14(19)9(2)17-13/h7-8,16H,3-6,15H2,1-2H3,(H,18,19)
InChIKeyKTTYCUUTULFIAC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.42
Rot. Bonds5

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

7-amino-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one (PubChem CID 11219166) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-amino-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-amino-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one
PubChem CID11219166
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name7-amino-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one
SMILESCCCCCNc1cc2nc(C)c(=O)[nH]c2cc1N
InChIInChI=1S/C14H20N4O/c1-3-4-5-6-16-11-8-13-12(7-10(11)15)18-14(19)9(2)17-13/h7-8,16H,3-6,15H2,1-2H3,(H,18,19)
InChIKeyKTTYCUUTULFIAC-UHFFFAOYSA-N
XLogP2.42
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one?
The IUPAC name of 7-amino-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one (CID 11219166) is 7-amino-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one.
What is the SMILES notation for 7-amino-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one?
The canonical SMILES for 7-amino-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one is CCCCCNc1cc2nc(C)c(=O)[nH]c2cc1N.
What is the InChIKey of 7-amino-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one?
The InChIKey is KTTYCUUTULFIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-4-5-6-16-11-8-13-12(7-10(11)15)18-14(19)9(2)17-13/h7-8,16H,3-6,15H2,1-2H3,(H,18,19).
What are the key properties of 7-amino-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one?
7-amino-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-methyl-6-(pentylamino)-1H-quinoxalin-2-one is sourced from PubChem (CID 11219166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).