4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one

C19H20N2O2 — CID 3385209

IUPAC4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCCC1C(=O)Nc2ccccc2N1C(=O)c1cccc(C)c1
InChIInChI=1S/C19H20N2O2/c1-3-7-17-18(22)20-15-10-4-5-11-16(15)21(17)19(23)14-9-6-8-13(2)12-14/h4-6,8-12,17H,3,7H2,1-2H3,(H,20,22)
InChIKeyWGYXPTICMYKQFA-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.76
Rot. Bonds3

About 4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one

4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one (PubChem CID 3385209) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one
PubChem CID3385209
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCCC1C(=O)Nc2ccccc2N1C(=O)c1cccc(C)c1
InChIInChI=1S/C19H20N2O2/c1-3-7-17-18(22)20-15-10-4-5-11-16(15)21(17)19(23)14-9-6-8-13(2)12-14/h4-6,8-12,17H,3,7H2,1-2H3,(H,20,22)
InChIKeyWGYXPTICMYKQFA-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one (CID 3385209) is 4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one is CCCC1C(=O)Nc2ccccc2N1C(=O)c1cccc(C)c1.
What is the InChIKey of 4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is WGYXPTICMYKQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-7-17-18(22)20-15-10-4-5-11-16(15)21(17)19(23)14-9-6-8-13(2)12-14/h4-6,8-12,17H,3,7H2,1-2H3,(H,20,22).
What are the key properties of 4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one?
4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 3385209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).