1-butyl-4-methyl-3H-quinoxalin-2-one

C13H18N2O — CID 117006618

IUPAC1-butyl-4-methyl-3H-quinoxalin-2-one
SMILESCCCCN1C(=O)CN(C)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-4-9-15-12-8-6-5-7-11(12)14(2)10-13(15)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyARIKXDOOVDERPO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.27
Rot. Bonds3

About 1-butyl-4-methyl-3H-quinoxalin-2-one

1-butyl-4-methyl-3H-quinoxalin-2-one (PubChem CID 117006618) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-butyl-4-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-butyl-4-methyl-3H-quinoxalin-2-one
PubChem CID117006618
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-butyl-4-methyl-3H-quinoxalin-2-one
SMILESCCCCN1C(=O)CN(C)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-4-9-15-12-8-6-5-7-11(12)14(2)10-13(15)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyARIKXDOOVDERPO-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydroxyquinoxaline
CID 27491
Butylacetanilide
CID 7051
N-Ethyl-N-phenylacetamide
CID 10727
1-Acetyl-1,5,5-trimethyl-2-phenylsemioxamazide
CID 68214
Phenampromide
CID 8523
Phenylacetylglycine Dimethylamide
CID 19536
4-Propanoyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 8551010
N-Propylacetanilide
CID 17098
1,4-Dimethylquinoxaline-2,3-dione
CID 351421
1-Methyl-1,2-dihydroquinoxalin-2-one
CID 351429
1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one
CID 736269
2(1H)-Quinoxalinone, 3,4-dihydro-
CID 185949

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-3H-quinoxalin-2-one?
The IUPAC name of 1-butyl-4-methyl-3H-quinoxalin-2-one (CID 117006618) is 1-butyl-4-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 1-butyl-4-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 1-butyl-4-methyl-3H-quinoxalin-2-one is CCCCN1C(=O)CN(C)c2ccccc21.
What is the InChIKey of 1-butyl-4-methyl-3H-quinoxalin-2-one?
The InChIKey is ARIKXDOOVDERPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-4-9-15-12-8-6-5-7-11(12)14(2)10-13(15)16/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 1-butyl-4-methyl-3H-quinoxalin-2-one?
1-butyl-4-methyl-3H-quinoxalin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 117006618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).