1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione

C23H19ClN2O4 — CID 17172499

IUPAC1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(-c3ccccc3)c(=O)n(Cc3cccc(Cl)c3)c2cc1OC
InChIInChI=1S/C23H19ClN2O4/c1-29-20-12-18-19(13-21(20)30-2)25(14-15-7-6-8-16(24)11-15)23(28)26(22(18)27)17-9-4-3-5-10-17/h3-13H,14H2,1-2H3
InChIKeyXBOOCHKASSZGHE-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.87
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione

1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione (PubChem CID 17172499) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione
PubChem CID17172499
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Name1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(-c3ccccc3)c(=O)n(Cc3cccc(Cl)c3)c2cc1OC
InChIInChI=1S/C23H19ClN2O4/c1-29-20-12-18-19(13-21(20)30-2)25(14-15-7-6-8-16(24)11-15)23(28)26(22(18)27)17-9-4-3-5-10-17/h3-13H,14H2,1-2H3
InChIKeyXBOOCHKASSZGHE-UHFFFAOYSA-N
XLogP3.87
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione (CID 17172499) is 1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione is COc1cc2c(=O)n(-c3ccccc3)c(=O)n(Cc3cccc(Cl)c3)c2cc1OC.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione?
The InChIKey is XBOOCHKASSZGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-29-20-12-18-19(13-21(20)30-2)25(14-15-7-6-8-16(24)11-15)23(28)26(22(18)27)17-9-4-3-5-10-17/h3-13H,14H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione?
1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione has a molecular weight of 422.87 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione is sourced from PubChem (CID 17172499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).