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

C22H17ClN2O3 — CID 15989239

IUPAC1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C22H17ClN2O3/c1-28-17-12-10-16(11-13-17)25-21(26)18-7-3-5-9-20(18)24(22(25)27)14-15-6-2-4-8-19(15)23/h2-13H,14H2,1H3
InChIKeyPTIIAUOROCXIPG-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.86
Rot. Bonds4

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

1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione (PubChem CID 15989239) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione
PubChem CID15989239
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C22H17ClN2O3/c1-28-17-12-10-16(11-13-17)25-21(26)18-7-3-5-9-20(18)24(22(25)27)14-15-6-2-4-8-19(15)23/h2-13H,14H2,1H3
InChIKeyPTIIAUOROCXIPG-UHFFFAOYSA-N
XLogP3.86
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione (CID 15989239) is 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione is COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione?
The InChIKey is PTIIAUOROCXIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-28-17-12-10-16(11-13-17)25-21(26)18-7-3-5-9-20(18)24(22(25)27)14-15-6-2-4-8-19(15)23/h2-13H,14H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione?
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione has a molecular weight of 392.84 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinazoline-2,4-dione is sourced from PubChem (CID 15989239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).