3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione

C16H14N2O2 — CID 78326275

IUPAC3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione
SMILESCc1ccc(N2C(=O)N=C3C=CC=CC3C2=O)c(C)c1
InChIInChI=1S/C16H14N2O2/c1-10-7-8-14(11(2)9-10)18-15(19)12-5-3-4-6-13(12)17-16(18)20/h3-9,12H,1-2H3
InChIKeyIVGBHNKJSJKJDJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.95
Rot. Bonds1

About 3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione

3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione (PubChem CID 78326275) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione
PubChem CID78326275
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione
SMILESCc1ccc(N2C(=O)N=C3C=CC=CC3C2=O)c(C)c1
InChIInChI=1S/C16H14N2O2/c1-10-7-8-14(11(2)9-10)18-15(19)12-5-3-4-6-13(12)17-16(18)20/h3-9,12H,1-2H3
InChIKeyIVGBHNKJSJKJDJ-UHFFFAOYSA-N
XLogP2.95
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-4aH-carbazole
CID 91727607
4-(2,4-dimethylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 3844362
2-(2,4-dimethylphenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 2844141
(1S,2S,6S,7S)-10-cyclopentylidene-4-(2,4-dimethylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306137
(3aR,4S,7R,7aS)-2-(2,4-dimethylphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 163181819
3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 709008
1,3-bis(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 5121465
ethyl 3-(2,4-dimethylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 5350191
(1R,2R,6R,7S,8R,9S)-8,9-dibromo-4-(2,4-dimethylphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 23306772
(1S,2R,6S,7R)-4-(2,4-dimethylphenyl)-7-(2,2-dimethylpropanoyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
CID 11906823
methyl N-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)carbamate
CID 78351305
17-(2,4-dimethylphenyl)-4-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaene-16,18-dione
CID 71675597

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione (CID 78326275) is 3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione is Cc1ccc(N2C(=O)N=C3C=CC=CC3C2=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione?
The InChIKey is IVGBHNKJSJKJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-7-8-14(11(2)9-10)18-15(19)12-5-3-4-6-13(12)17-16(18)20/h3-9,12H,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione?
3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 78326275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).