5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline

C14H10BrClN2OS — CID 114591757

IUPAC5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline
SMILESCOc1cc(Br)c2c(Cl)nc(-c3sccc3C)nc2c1
InChIInChI=1S/C14H10BrClN2OS/c1-7-3-4-20-12(7)14-17-10-6-8(19-2)5-9(15)11(10)13(16)18-14/h3-6H,1-2H3
InChIKeyQDHWYJZZXJKJMC-UHFFFAOYSA-N
MW369.67 g/mol
LogP5.09
Rot. Bonds2

About 5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline

5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline (PubChem CID 114591757) has the molecular formula C14H10BrClN2OS and a molecular weight of 369.67 g/mol. Its IUPAC name is 5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline.

Molecular Properties

Compound Name5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline
PubChem CID114591757
Molecular FormulaC14H10BrClN2OS
Molecular Weight369.67 g/mol
Exact Mass367.94
IUPAC Name5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline
SMILESCOc1cc(Br)c2c(Cl)nc(-c3sccc3C)nc2c1
InChIInChI=1S/C14H10BrClN2OS/c1-7-3-4-20-12(7)14-17-10-6-8(19-2)5-9(15)11(10)13(16)18-14/h3-6H,1-2H3
InChIKeyQDHWYJZZXJKJMC-UHFFFAOYSA-N
XLogP5.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.67
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)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-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline
CID 114591327
5-bromo-4-chloro-6-methyl-2-(3-methylthiophen-2-yl)pyrimidine
CID 66312815
5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline
CID 114591758
5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline
CID 114693397
5-bromo-4-chloro-2-ethyl-7-methoxyquinazoline
CID 114591753
4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline
CID 114591522
4,6-dichloro-5-(3-methylphenyl)-2-(3-methylthiophen-2-yl)pyrimidine
CID 79422292
5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline
CID 114591231
5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline
CID 103400565
9-bromo-7-methoxybenzo[g][1]benzothiole
CID 171477320
4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine
CID 43557747
2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine
CID 80641658

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline?
The IUPAC name of 5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline (CID 114591757) is 5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline.
What is the SMILES notation for 5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline?
The canonical SMILES for 5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline is COc1cc(Br)c2c(Cl)nc(-c3sccc3C)nc2c1.
What is the InChIKey of 5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline?
The InChIKey is QDHWYJZZXJKJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2OS/c1-7-3-4-20-12(7)14-17-10-6-8(19-2)5-9(15)11(10)13(16)18-14/h3-6H,1-2H3.
What are the key properties of 5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline?
5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline has a molecular weight of 369.67 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline is sourced from PubChem (CID 114591757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).