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

C21H14Cl2N2O2 — CID 17147919

IUPAC3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C21H14Cl2N2O2/c22-15-7-5-8-16(12-15)25-20(26)17-9-2-4-11-19(17)24(21(25)27)13-14-6-1-3-10-18(14)23/h1-12H,13H2
InChIKeyAGSHVEDLPCIZKZ-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.51
Rot. Bonds3

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

3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione (PubChem CID 17147919) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione
PubChem CID17147919
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C21H14Cl2N2O2/c22-15-7-5-8-16(12-15)25-20(26)17-9-2-4-11-19(17)24(21(25)27)13-14-6-1-3-10-18(14)23/h1-12H,13H2
InChIKeyAGSHVEDLPCIZKZ-UHFFFAOYSA-N
XLogP4.51
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione (CID 17147919) is 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione is O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione?
The InChIKey is AGSHVEDLPCIZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c22-15-7-5-8-16(12-15)25-20(26)17-9-2-4-11-19(17)24(21(25)27)13-14-6-1-3-10-18(14)23/h1-12H,13H2.
What are the key properties of 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione?
3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione has a molecular weight of 397.26 g/mol, XLogP of 4.51, 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-[(2-chlorophenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 17147919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).