1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one

C19H30N2O — CID 82157206

IUPAC1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCCCCCCN1C(=O)C(C(C)C)Nc2cc(C)c(C)cc21
InChIInChI=1S/C19H30N2O/c1-6-7-8-9-10-21-17-12-15(5)14(4)11-16(17)20-18(13(2)3)19(21)22/h11-13,18,20H,6-10H2,1-5H3
InChIKeyLREWSUYZCCNUGP-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.67
Rot. Bonds6

About 1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one

1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157206) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
PubChem CID82157206
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCCCCCCN1C(=O)C(C(C)C)Nc2cc(C)c(C)cc21
InChIInChI=1S/C19H30N2O/c1-6-7-8-9-10-21-17-12-15(5)14(4)11-16(17)20-18(13(2)3)19(21)22/h11-13,18,20H,6-10H2,1-5H3
InChIKeyLREWSUYZCCNUGP-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one with MolForge

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Related Compounds

3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 82157230
1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157281
2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157200
6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one
CID 82157533
3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157237
3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157291
2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
CID 82157190
2-(6,7-dichloro-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)acetonitrile
CID 82157708
5-[2-(dimethylamino)ethyl]-7-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157951
1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84622977
6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874181
6-ethyl-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84627150

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one (CID 82157206) is 1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one is CCCCCCN1C(=O)C(C(C)C)Nc2cc(C)c(C)cc21.
What is the InChIKey of 1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The InChIKey is LREWSUYZCCNUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-6-7-8-9-10-21-17-12-15(5)14(4)11-16(17)20-18(13(2)3)19(21)22/h11-13,18,20H,6-10H2,1-5H3.
What are the key properties of 1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one has a molecular weight of 302.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).