7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione

C19H17Cl2FN2O3 — CID 118498793

IUPAC7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione
SMILESCC(C)(O)Cn1c(=O)n(Cc2ccc(Cl)c(F)c2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C19H17Cl2FN2O3/c1-19(2,27)10-24-16-8-12(20)4-5-13(16)17(25)23(18(24)26)9-11-3-6-14(21)15(22)7-11/h3-8,27H,9-10H2,1-2H3
InChIKeyBHVTXHROXINZDP-UHFFFAOYSA-N
MW411.26 g/mol
LogP3.43
Rot. Bonds4

About 7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione

7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione (PubChem CID 118498793) has the molecular formula C19H17Cl2FN2O3 and a molecular weight of 411.26 g/mol. Its IUPAC name is 7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione
PubChem CID118498793
Molecular FormulaC19H17Cl2FN2O3
Molecular Weight411.26 g/mol
Exact Mass410.06
IUPAC Name7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione
SMILESCC(C)(O)Cn1c(=O)n(Cc2ccc(Cl)c(F)c2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C19H17Cl2FN2O3/c1-19(2,27)10-24-16-8-12(20)4-5-13(16)17(25)23(18(24)26)9-11-3-6-14(21)15(22)7-11/h3-8,27H,9-10H2,1-2H3
InChIKeyBHVTXHROXINZDP-UHFFFAOYSA-N
XLogP3.43
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)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 7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione?
The IUPAC name of 7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione (CID 118498793) is 7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione is CC(C)(O)Cn1c(=O)n(Cc2ccc(Cl)c(F)c2)c(=O)c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione?
The InChIKey is BHVTXHROXINZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O3/c1-19(2,27)10-24-16-8-12(20)4-5-13(16)17(25)23(18(24)26)9-11-3-6-14(21)15(22)7-11/h3-8,27H,9-10H2,1-2H3.
What are the key properties of 7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione?
7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione has a molecular weight of 411.26 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(4-chloro-3-fluorophenyl)methyl]-1-(2-hydroxy-2-methylpropyl)quinazoline-2,4-dione is sourced from PubChem (CID 118498793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).