6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione

C20H12BrClN2O4 — CID 17197912

IUPAC6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2cc(Br)ccc21)c1ccco1
InChIInChI=1S/C20H12BrClN2O4/c21-12-3-8-16-15(10-12)19(26)24(14-6-4-13(22)5-7-14)20(27)23(16)11-17(25)18-2-1-9-28-18/h1-10H,11H2
InChIKeyYSHJQGBEEHRUSI-UHFFFAOYSA-N
MW459.68 g/mol
LogP4.04
Rot. Bonds4

About 6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione

6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 17197912) has the molecular formula C20H12BrClN2O4 and a molecular weight of 459.68 g/mol. Its IUPAC name is 6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID17197912
Molecular FormulaC20H12BrClN2O4
Molecular Weight459.68 g/mol
Exact Mass457.97
IUPAC Name6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2cc(Br)ccc21)c1ccco1
InChIInChI=1S/C20H12BrClN2O4/c21-12-3-8-16-15(10-12)19(26)24(14-6-4-13(22)5-7-14)20(27)23(16)11-17(25)18-2-1-9-28-18/h1-10H,11H2
InChIKeyYSHJQGBEEHRUSI-UHFFFAOYSA-N
XLogP4.04
TPSA74.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.68
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione (CID 17197912) is 6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione is O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2cc(Br)ccc21)c1ccco1.
What is the InChIKey of 6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is YSHJQGBEEHRUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrClN2O4/c21-12-3-8-16-15(10-12)19(26)24(14-6-4-13(22)5-7-14)20(27)23(16)11-17(25)18-2-1-9-28-18/h1-10H,11H2.
What are the key properties of 6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione?
6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 459.68 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 17197912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).