3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one

C21H21ClN2O3 — CID 45118223

IUPAC3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one
SMILESCC(C)c1nc2c(OCC3CC3)c(O)ccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3/c1-12(2)20-23-18-16(9-10-17(25)19(18)27-11-13-3-4-13)21(26)24(20)15-7-5-14(22)6-8-15/h5-10,12-13,25H,3-4,11H2,1-2H3
InChIKeyGTMJORJKGXSEMN-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.66
Rot. Bonds5

About 3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one

3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one (PubChem CID 45118223) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one
PubChem CID45118223
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one
SMILESCC(C)c1nc2c(OCC3CC3)c(O)ccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3/c1-12(2)20-23-18-16(9-10-17(25)19(18)27-11-13-3-4-13)21(26)24(20)15-7-5-14(22)6-8-15/h5-10,12-13,25H,3-4,11H2,1-2H3
InChIKeyGTMJORJKGXSEMN-UHFFFAOYSA-N
XLogP4.66
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-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 3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one (CID 45118223) is 3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one is CC(C)c1nc2c(OCC3CC3)c(O)ccc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one?
The InChIKey is GTMJORJKGXSEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-12(2)20-23-18-16(9-10-17(25)19(18)27-11-13-3-4-13)21(26)24(20)15-7-5-14(22)6-8-15/h5-10,12-13,25H,3-4,11H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one?
3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one has a molecular weight of 384.86 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 45118223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).