4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline

C15H9Cl2FN2O — CID 114590589

IUPAC4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)nc(-c3cccc(F)c3Cl)nc2c1
InChIInChI=1S/C15H9Cl2FN2O/c1-21-8-5-6-9-12(7-8)19-15(20-14(9)17)10-3-2-4-11(18)13(10)16/h2-7H,1H3
InChIKeyCQSYODCYIZGZQO-UHFFFAOYSA-N
MW323.15 g/mol
LogP4.75
Rot. Bonds2

About 4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline

4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline (PubChem CID 114590589) has the molecular formula C15H9Cl2FN2O and a molecular weight of 323.15 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline
PubChem CID114590589
Molecular FormulaC15H9Cl2FN2O
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)nc(-c3cccc(F)c3Cl)nc2c1
InChIInChI=1S/C15H9Cl2FN2O/c1-21-8-5-6-9-12(7-8)19-15(20-14(9)17)10-3-2-4-11(18)13(10)16/h2-7H,1H3
InChIKeyCQSYODCYIZGZQO-UHFFFAOYSA-N
XLogP4.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline
CID 114590549
4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline
CID 114590560
4-chloro-8-fluoro-2-(2-fluoro-4-methoxyphenyl)quinazoline
CID 102882508
4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
CID 81453930
4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
CID 174533075
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
2-chloro-3-fluoro-7-methoxyquinoline
CID 22030591
4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178
4-chloro-7-fluoro-2-(2-methylphenyl)quinazoline
CID 63083992
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline?
The IUPAC name of 4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline (CID 114590589) is 4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline.
What is the SMILES notation for 4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline?
The canonical SMILES for 4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline is COc1ccc2c(Cl)nc(-c3cccc(F)c3Cl)nc2c1.
What is the InChIKey of 4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline?
The InChIKey is CQSYODCYIZGZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O/c1-21-8-5-6-9-12(7-8)19-15(20-14(9)17)10-3-2-4-11(18)13(10)16/h2-7H,1H3.
What are the key properties of 4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline?
4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline has a molecular weight of 323.15 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline is sourced from PubChem (CID 114590589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).