1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one

C13H18N2O — CID 84623020

IUPAC1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCc1cccc2c1N(C)C(=O)C(C(C)C)N2
InChIInChI=1S/C13H18N2O/c1-8(2)11-13(16)15(4)12-9(3)6-5-7-10(12)14-11/h5-8,11,14H,1-4H3
InChIKeySPFVVUVIHYYXQE-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.41
Rot. Bonds1

About 1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one

1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one (PubChem CID 84623020) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
PubChem CID84623020
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCc1cccc2c1N(C)C(=O)C(C(C)C)N2
InChIInChI=1S/C13H18N2O/c1-8(2)11-13(16)15(4)12-9(3)6-5-7-10(12)14-11/h5-8,11,14H,1-4H3
InChIKeySPFVVUVIHYYXQE-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one (CID 84623020) is 1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one is Cc1cccc2c1N(C)C(=O)C(C(C)C)N2.
What is the InChIKey of 1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The InChIKey is SPFVVUVIHYYXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8(2)11-13(16)15(4)12-9(3)6-5-7-10(12)14-11/h5-8,11,14H,1-4H3.
What are the key properties of 1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84623020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).