3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione

C22H17ClN2O2 — CID 17147921

IUPAC3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
SMILESCc1ccc(Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C22H17ClN2O2/c1-15-9-11-16(12-10-15)14-24-20-8-3-2-7-19(20)21(26)25(22(24)27)18-6-4-5-17(23)13-18/h2-13H,14H2,1H3
InChIKeyKCUSJITXAZDEPJ-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.16
Rot. Bonds3

About 3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione

3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione (PubChem CID 17147921) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
PubChem CID17147921
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
SMILESCc1ccc(Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C22H17ClN2O2/c1-15-9-11-16(12-10-15)14-24-20-8-3-2-7-19(20)21(26)25(22(24)27)18-6-4-5-17(23)13-18/h2-13H,14H2,1H3
InChIKeyKCUSJITXAZDEPJ-UHFFFAOYSA-N
XLogP4.16
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17159912
3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione
CID 17147919
6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
CID 17190267
1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
CID 15989209
3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
CID 95922194
3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 15988071
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate
CID 95917068
1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione
CID 17172499
2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93301719
3-[4-[2-(azepan-1-yl)-2-oxoethyl]phenyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 50762535
2-[4-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763349

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione (CID 17147921) is 3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione is Cc1ccc(Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione?
The InChIKey is KCUSJITXAZDEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-15-9-11-16(12-10-15)14-24-20-8-3-2-7-19(20)21(26)25(22(24)27)18-6-4-5-17(23)13-18/h2-13H,14H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione?
3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione has a molecular weight of 376.84 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 17147921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).