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

C22H16Cl2N2O2 — CID 17159912

IUPAC3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
SMILESCc1ccc(Cn2c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C22H16Cl2N2O2/c1-14-6-8-15(9-7-14)13-25-20-5-3-2-4-17(20)21(27)26(22(25)28)16-10-11-18(23)19(24)12-16/h2-12H,13H2,1H3
InChIKeyWWAYMGWCDKMDMH-UHFFFAOYSA-N
MW411.29 g/mol
LogP4.82
Rot. Bonds3

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

3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione (PubChem CID 17159912) has the molecular formula C22H16Cl2N2O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
PubChem CID17159912
Molecular FormulaC22H16Cl2N2O2
Molecular Weight411.29 g/mol
Exact Mass410.06
IUPAC Name3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
SMILESCc1ccc(Cn2c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C22H16Cl2N2O2/c1-14-6-8-15(9-7-14)13-25-20-5-3-2-4-17(20)21(27)26(22(25)28)16-10-11-18(23)19(24)12-16/h2-12H,13H2,1H3
InChIKeyWWAYMGWCDKMDMH-UHFFFAOYSA-N
XLogP4.82
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione (CID 17159912) is 3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione is Cc1ccc(Cn2c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione?
The InChIKey is WWAYMGWCDKMDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2/c1-14-6-8-15(9-7-14)13-25-20-5-3-2-4-17(20)21(27)26(22(25)28)16-10-11-18(23)19(24)12-16/h2-12H,13H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione?
3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione has a molecular weight of 411.29 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 17159912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).