4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline

C16H12ClFN2O — CID 114590560

IUPAC4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)nc(-c3cc(C)ccc3F)nc2c1
InChIInChI=1S/C16H12ClFN2O/c1-9-3-6-13(18)12(7-9)16-19-14-8-10(21-2)4-5-11(14)15(17)20-16/h3-8H,1-2H3
InChIKeyCUMVERZJGWGPBC-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.41
Rot. Bonds2

About 4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline

4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline (PubChem CID 114590560) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline
PubChem CID114590560
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)nc(-c3cc(C)ccc3F)nc2c1
InChIInChI=1S/C16H12ClFN2O/c1-9-3-6-13(18)12(7-9)16-19-14-8-10(21-2)4-5-11(14)15(17)20-16/h3-8H,1-2H3
InChIKeyCUMVERZJGWGPBC-UHFFFAOYSA-N
XLogP4.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline
CID 114590589
4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline
CID 114590549
4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
CID 174533075
4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline
CID 63085175
4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline
CID 63085689
4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline
CID 62504381
6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine
CID 64983529
4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline
CID 63496783
2-chloro-3-fluoro-7-methoxyquinoline
CID 22030591
4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178
6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline
CID 114591279
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline?
The IUPAC name of 4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline (CID 114590560) is 4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline.
What is the SMILES notation for 4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline?
The canonical SMILES for 4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline is COc1ccc2c(Cl)nc(-c3cc(C)ccc3F)nc2c1.
What is the InChIKey of 4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline?
The InChIKey is CUMVERZJGWGPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-3-6-13(18)12(7-9)16-19-14-8-10(21-2)4-5-11(14)15(17)20-16/h3-8H,1-2H3.
What are the key properties of 4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline?
4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline has a molecular weight of 302.74 g/mol, XLogP of 4.41, 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-fluoro-5-methylphenyl)-7-methoxyquinazoline is sourced from PubChem (CID 114590560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).