6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one

C20H24N2O2 — CID 82157387

IUPAC6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one
SMILESCc1cccc(OCCCN2C(=O)CNc3cc(C)c(C)cc32)c1
InChIInChI=1S/C20H24N2O2/c1-14-6-4-7-17(10-14)24-9-5-8-22-19-12-16(3)15(2)11-18(19)21-13-20(22)23/h4,6-7,10-12,21H,5,8-9,13H2,1-3H3
InChIKeyKGFLYNUWEIMFTC-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.84
Rot. Bonds5

About 6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one

6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one (PubChem CID 82157387) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one
PubChem CID82157387
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one
SMILESCc1cccc(OCCCN2C(=O)CNc3cc(C)c(C)cc32)c1
InChIInChI=1S/C20H24N2O2/c1-14-6-4-7-17(10-14)24-9-5-8-22-19-12-16(3)15(2)11-18(19)21-13-20(22)23/h4,6-7,10-12,21H,5,8-9,13H2,1-3H3
InChIKeyKGFLYNUWEIMFTC-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-(3-methylphenoxy)ethyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46688572
1-[2-(3-methylphenoxy)ethyl]piperazin-2-one
CID 64564764
4-[4-(3-methylphenoxy)butyl]-6-(2-methyl-1,3-thiazol-4-yl)-1,4-benzoxazin-3-one
CID 28696025
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1'-[3-(3-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177799
4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline
CID 82092614
N-methylmethanamine;2-[4-(3-methylphenoxy)butyl]isoindole-1,3-dione
CID 19830935
1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one
CID 82156906
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18137040
2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
CID 60669962
5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 112774676

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one (CID 82157387) is 6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one is Cc1cccc(OCCCN2C(=O)CNc3cc(C)c(C)cc32)c1.
What is the InChIKey of 6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one?
The InChIKey is KGFLYNUWEIMFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-6-4-7-17(10-14)24-9-5-8-22-19-12-16(3)15(2)11-18(19)21-13-20(22)23/h4,6-7,10-12,21H,5,8-9,13H2,1-3H3.
What are the key properties of 6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one?
6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one has a molecular weight of 324.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).