2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one

C21H15ClN2O2 — CID 168551636

IUPAC2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2OCc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H15ClN2O2/c22-15-11-9-14(10-12-15)13-26-19-8-4-2-6-17(19)20-23-18-7-3-1-5-16(18)21(25)24-20/h1-12H,13H2,(H,23,24,25)
InChIKeyTWBDGKBJXMVPER-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.82
Rot. Bonds4

About 2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one

2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one (PubChem CID 168551636) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
PubChem CID168551636
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC Name2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2OCc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H15ClN2O2/c22-15-11-9-14(10-12-15)13-26-19-8-4-2-6-17(19)20-23-18-7-3-1-5-16(18)21(25)24-20/h1-12H,13H2,(H,23,24,25)
InChIKeyTWBDGKBJXMVPER-UHFFFAOYSA-N
XLogP4.82
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-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

Related Compounds

2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551891
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873
5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 168552349
2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
CID 137085073
2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
CID 168552669
2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551308
methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate
CID 168551557
2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one
CID 168552796
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168552014
2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one
CID 168550890
2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168553251

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one (CID 168551636) is 2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2OCc2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one?
The InChIKey is TWBDGKBJXMVPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c22-15-11-9-14(10-12-15)13-26-19-8-4-2-6-17(19)20-23-18-7-3-1-5-16(18)21(25)24-20/h1-12H,13H2,(H,23,24,25).
What are the key properties of 2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one?
2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one has a molecular weight of 362.82 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168551636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).