5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one

C20H13Cl3N2O2 — CID 22647873

IUPAC5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2c(-c3ccccc3Cl)cc(O)cc2N1c1c(Cl)cccc1Cl
InChIInChI=1S/C20H13Cl3N2O2/c21-15-5-2-1-4-12(15)13-8-11(26)9-18-14(13)10-24-20(27)25(18)19-16(22)6-3-7-17(19)23/h1-9,26H,10H2,(H,24,27)
InChIKeyKLSIEXRQFXOAFE-UHFFFAOYSA-N
MW419.70 g/mol
LogP6.38
Rot. Bonds2

About 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one

5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one (PubChem CID 22647873) has the molecular formula C20H13Cl3N2O2 and a molecular weight of 419.70 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one
PubChem CID22647873
Molecular FormulaC20H13Cl3N2O2
Molecular Weight419.70 g/mol
Exact Mass418.00
IUPAC Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2c(-c3ccccc3Cl)cc(O)cc2N1c1c(Cl)cccc1Cl
InChIInChI=1S/C20H13Cl3N2O2/c21-15-5-2-1-4-12(15)13-8-11(26)9-18-14(13)10-24-20(27)25(18)19-16(22)6-3-7-17(19)23/h1-9,26H,10H2,(H,24,27)
InChIKeyKLSIEXRQFXOAFE-UHFFFAOYSA-N
XLogP6.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.70
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one 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 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one?
The IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one (CID 22647873) is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one is O=C1NCc2c(-c3ccccc3Cl)cc(O)cc2N1c1c(Cl)cccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one?
The InChIKey is KLSIEXRQFXOAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N2O2/c21-15-5-2-1-4-12(15)13-8-11(26)9-18-14(13)10-24-20(27)25(18)19-16(22)6-3-7-17(19)23/h1-9,26H,10H2,(H,24,27).
What are the key properties of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one?
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one has a molecular weight of 419.70 g/mol, XLogP of 6.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydroxy-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 22647873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).