7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline

C15H10BrClN2O — CID 114590534

IUPAC7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
SMILESCOc1cccc(-c2nc(Cl)c3ccc(Br)cc3n2)c1
InChIInChI=1S/C15H10BrClN2O/c1-20-11-4-2-3-9(7-11)15-18-13-8-10(16)5-6-12(13)14(17)19-15/h2-8H,1H3
InChIKeyCFOCEVPBXZMPGM-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.72
Rot. Bonds2

About 7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline

7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline (PubChem CID 114590534) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline.

Molecular Properties

Compound Name7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
PubChem CID114590534
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
SMILESCOc1cccc(-c2nc(Cl)c3ccc(Br)cc3n2)c1
InChIInChI=1S/C15H10BrClN2O/c1-20-11-4-2-3-9(7-11)15-18-13-8-10(16)5-6-12(13)14(17)19-15/h2-8H,1H3
InChIKeyCFOCEVPBXZMPGM-UHFFFAOYSA-N
XLogP4.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline 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

4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
CID 174533075
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline
CID 114590509
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
CID 66293580
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
7-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
CID 114590501
4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590522
7-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590494
7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
CID 107096293

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline?
The IUPAC name of 7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline (CID 114590534) is 7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline.
What is the SMILES notation for 7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline?
The canonical SMILES for 7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline is COc1cccc(-c2nc(Cl)c3ccc(Br)cc3n2)c1.
What is the InChIKey of 7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline?
The InChIKey is CFOCEVPBXZMPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c1-20-11-4-2-3-9(7-11)15-18-13-8-10(16)5-6-12(13)14(17)19-15/h2-8H,1H3.
What are the key properties of 7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline?
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline has a molecular weight of 349.62 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline is sourced from PubChem (CID 114590534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).