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

C18H28N4O — CID 11381521

IUPAC7-amino-3-methyl-6-(nonylamino)-1H-quinoxalin-2-one
SMILESCCCCCCCCCNc1cc2nc(C)c(=O)[nH]c2cc1N
InChIInChI=1S/C18H28N4O/c1-3-4-5-6-7-8-9-10-20-15-12-17-16(11-14(15)19)22-18(23)13(2)21-17/h11-12,20H,3-10,19H2,1-2H3,(H,22,23)
InChIKeyCGYSHNAZOKIJDM-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.98
Rot. Bonds9

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

7-amino-3-methyl-6-(nonylamino)-1H-quinoxalin-2-one (PubChem CID 11381521) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 7-amino-3-methyl-6-(nonylamino)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-amino-3-methyl-6-(nonylamino)-1H-quinoxalin-2-one
PubChem CID11381521
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name7-amino-3-methyl-6-(nonylamino)-1H-quinoxalin-2-one
SMILESCCCCCCCCCNc1cc2nc(C)c(=O)[nH]c2cc1N
InChIInChI=1S/C18H28N4O/c1-3-4-5-6-7-8-9-10-20-15-12-17-16(11-14(15)19)22-18(23)13(2)21-17/h11-12,20H,3-10,19H2,1-2H3,(H,22,23)
InChIKeyCGYSHNAZOKIJDM-UHFFFAOYSA-N
XLogP3.98
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.98
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-(nonylamino)-1H-quinoxalin-2-one?
The IUPAC name of 7-amino-3-methyl-6-(nonylamino)-1H-quinoxalin-2-one (CID 11381521) is 7-amino-3-methyl-6-(nonylamino)-1H-quinoxalin-2-one.
What is the SMILES notation for 7-amino-3-methyl-6-(nonylamino)-1H-quinoxalin-2-one?
The canonical SMILES for 7-amino-3-methyl-6-(nonylamino)-1H-quinoxalin-2-one is CCCCCCCCCNc1cc2nc(C)c(=O)[nH]c2cc1N.
What is the InChIKey of 7-amino-3-methyl-6-(nonylamino)-1H-quinoxalin-2-one?
The InChIKey is CGYSHNAZOKIJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-3-4-5-6-7-8-9-10-20-15-12-17-16(11-14(15)19)22-18(23)13(2)21-17/h11-12,20H,3-10,19H2,1-2H3,(H,22,23).
What are the key properties of 7-amino-3-methyl-6-(nonylamino)-1H-quinoxalin-2-one?
7-amino-3-methyl-6-(nonylamino)-1H-quinoxalin-2-one has a molecular weight of 316.45 g/mol, XLogP of 3.98, 9 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-(nonylamino)-1H-quinoxalin-2-one is sourced from PubChem (CID 11381521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).