1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one

C13H18N2O — CID 84622977

IUPAC1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCc1ccc2c(c1)NC(C(C)C)C(=O)N2C
InChIInChI=1S/C13H18N2O/c1-8(2)12-13(16)15(4)11-6-5-9(3)7-10(11)14-12/h5-8,12,14H,1-4H3
InChIKeyCFUDLDOYGZDVOD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.41
Rot. Bonds1

About 1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one

1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one (PubChem CID 84622977) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
PubChem CID84622977
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCc1ccc2c(c1)NC(C(C)C)C(=O)N2C
InChIInChI=1S/C13H18N2O/c1-8(2)12-13(16)15(4)11-6-5-9(3)7-10(11)14-12/h5-8,12,14H,1-4H3
InChIKeyCFUDLDOYGZDVOD-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

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Related Compounds

6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84629259
6-ethyl-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84627150
8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84644433
5-methyl-7-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157944
1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84623020
1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157206
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64878987
6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one
CID 82157709
2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157200
6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 83509943
1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879368
7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
CID 21455256

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one (CID 84622977) is 1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one is Cc1ccc2c(c1)NC(C(C)C)C(=O)N2C.
What is the InChIKey of 1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The InChIKey is CFUDLDOYGZDVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8(2)12-13(16)15(4)11-6-5-9(3)7-10(11)14-12/h5-8,12,14H,1-4H3.
What are the key properties of 1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
1,6-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 1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84622977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).