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

C13H18N2O — CID 115095002

IUPAC3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCc1cccc2c1N(C(C)C)C(=O)C(C)N2
InChIInChI=1S/C13H18N2O/c1-8(2)15-12-9(3)6-5-7-11(12)14-10(4)13(15)16/h5-8,10,14H,1-4H3
InChIKeyATXHWVMNBOBHQV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.55
Rot. Bonds1

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

3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one (PubChem CID 115095002) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
PubChem CID115095002
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCc1cccc2c1N(C(C)C)C(=O)C(C)N2
InChIInChI=1S/C13H18N2O/c1-8(2)15-12-9(3)6-5-7-11(12)14-10(4)13(15)16/h5-8,10,14H,1-4H3
InChIKeyATXHWVMNBOBHQV-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one (CID 115095002) is 3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one is Cc1cccc2c1N(C(C)C)C(=O)C(C)N2.
What is the InChIKey of 3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The InChIKey is ATXHWVMNBOBHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8(2)15-12-9(3)6-5-7-11(12)14-10(4)13(15)16/h5-8,10,14H,1-4H3.
What are the key properties of 3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 115095002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).