3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one

C18H16N2O2 — CID 932622

IUPAC3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1C
InChIInChI=1S/C18H16N2O2/c1-12-7-8-14(9-13(12)2)17(21)10-20-11-19-16-6-4-3-5-15(16)18(20)22/h3-9,11H,10H2,1-2H3
InChIKeyXGMULQJOKRAFJU-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.90
Rot. Bonds3

About 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one

3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one (PubChem CID 932622) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
PubChem CID932622
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1C
InChIInChI=1S/C18H16N2O2/c1-12-7-8-14(9-13(12)2)17(21)10-20-11-19-16-6-4-3-5-15(16)18(20)22/h3-9,11H,10H2,1-2H3
InChIKeyXGMULQJOKRAFJU-UHFFFAOYSA-N
XLogP2.90
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylphenyl) 2-(4-oxoquinazolin-3-yl)acetate
CID 9097161
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 27238858
[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea
CID 32762513
N-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide
CID 7628344
N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide
CID 9464349
3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one
CID 4809023
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4785568
3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55847594
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 17436537
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one (CID 932622) is 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one is Cc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1C.
What is the InChIKey of 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is XGMULQJOKRAFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-7-8-14(9-13(12)2)17(21)10-20-11-19-16-6-4-3-5-15(16)18(20)22/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one?
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 292.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 932622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).