4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline

C16H12ClFN2O — CID 102882455

IUPAC4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline
SMILESCOc1ccc(-c2nc(Cl)c3c(C)cccc3n2)c(F)c1
InChIInChI=1S/C16H12ClFN2O/c1-9-4-3-5-13-14(9)15(17)20-16(19-13)11-7-6-10(21-2)8-12(11)18/h3-8H,1-2H3
InChIKeyZRHQLRWPLNCYQZ-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.41
Rot. Bonds2

About 4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline

4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline (PubChem CID 102882455) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline
PubChem CID102882455
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline
SMILESCOc1ccc(-c2nc(Cl)c3c(C)cccc3n2)c(F)c1
InChIInChI=1S/C16H12ClFN2O/c1-9-4-3-5-13-14(9)15(17)20-16(19-13)11-7-6-10(21-2)8-12(11)18/h3-8H,1-2H3
InChIKeyZRHQLRWPLNCYQZ-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

7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
(2-Fluoromethyl-quinazolin-4-yl)-(4-methoxy-phenyl)-methyl-amine
CID 11208709
5-((2,4-Difluorophenoxy)methyl)quinazoline-2,4-diamine
CID 11645134
5-[(2-Chlorophenoxy)methyl]quinazoline-2,4-diamine
CID 11666585
5-((3-Chlorophenoxy)methyl)quinazoline-2,4-diamine
CID 11688044
2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11738112
4-Methoxy-2-(4-propoxyphenyl)quinazoline
CID 1612038
5-((2-Fluorophenoxy)methyl)quinazoline-2,4-diamine
CID 24777136
5-[(3-Fluorophenoxy)methyl]quinazoline-2,4-diamine
CID 137637328
2-(2-Chlorophenyl)-4-ethoxyquinazoline
CID 914488
2-(4-Chlorophenyl)-4-propan-2-yloxyquinazoline
CID 914635
7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 1490527

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline?
The IUPAC name of 4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline (CID 102882455) is 4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline?
The canonical SMILES for 4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline is COc1ccc(-c2nc(Cl)c3c(C)cccc3n2)c(F)c1.
What is the InChIKey of 4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline?
The InChIKey is ZRHQLRWPLNCYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-4-3-5-13-14(9)15(17)20-16(19-13)11-7-6-10(21-2)8-12(11)18/h3-8H,1-2H3.
What are the key properties of 4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline?
4-chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline 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-4-methoxyphenyl)-5-methylquinazoline is sourced from PubChem (CID 102882455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).