ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione

C23H36N2O2 — CID 91492397

IUPACethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
SMILESCC.CC.CC.CC.Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C15H12N2O2.4C2H6/c1-10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)16-15(17)19;4*1-2/h2-9H,1H3,(H,16,19);4*1-2H3
InChIKeyNUVXVGMGGMWZDU-UHFFFAOYSA-N
MW372.55 g/mol
LogP6.09
Rot. Bonds1

About ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione

ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione (PubChem CID 91492397) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Nameethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
PubChem CID91492397
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Nameethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
SMILESCC.CC.CC.CC.Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C15H12N2O2.4C2H6/c1-10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)16-15(17)19;4*1-2/h2-9H,1H3,(H,16,19);4*1-2H3
InChIKeyNUVXVGMGGMWZDU-UHFFFAOYSA-N
XLogP6.09
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane
CID 91428000
6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 718439
3-(2,3-dimethylphenyl)-1H-quinazoline-2,4-dione
CID 12845269
3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 848491
3-(4-aminophenyl)-1H-1,3-benzodiazepine-2,4,5-trione
CID 102282409
3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 11266204
3-[4-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 15134035
2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide
CID 4075223
N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide
CID 3600020
ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate
CID 3238846
3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione
CID 17221479
3-quinolin-3-yl-1H-quinazoline-2,4-dione
CID 17221486

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione (CID 91492397) is ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione is CC.CC.CC.CC.Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione?
The InChIKey is NUVXVGMGGMWZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2.4C2H6/c1-10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)16-15(17)19;4*1-2/h2-9H,1H3,(H,16,19);4*1-2H3.
What are the key properties of ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione?
ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione has a molecular weight of 372.55 g/mol, XLogP of 6.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 91492397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).