4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline

C16H11F3N2O — CID 162404266

IUPAC4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline
SMILESCc1cc(F)ccc1-c1nc(OC(F)F)c2ccccc2n1
InChIInChI=1S/C16H11F3N2O/c1-9-8-10(17)6-7-11(9)14-20-13-5-3-2-4-12(13)15(21-14)22-16(18)19/h2-8,16H,1H3
InChIKeyNOIGQXZJAAQIES-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.35
Rot. Bonds3

About 4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline

4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline (PubChem CID 162404266) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline
PubChem CID162404266
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline
SMILESCc1cc(F)ccc1-c1nc(OC(F)F)c2ccccc2n1
InChIInChI=1S/C16H11F3N2O/c1-9-8-10(17)6-7-11(9)14-20-13-5-3-2-4-12(13)15(21-14)22-16(18)19/h2-8,16H,1H3
InChIKeyNOIGQXZJAAQIES-UHFFFAOYSA-N
XLogP4.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
CID 67701490
4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 29293283
4-(5-fluoro-2-methylphenoxy)quinazolin-2-amine
CID 102989130
4-chloro-7-fluoro-2-(2-methylphenyl)quinazoline
CID 63083992
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
4-chloro-2-(4-fluoro-2-methylphenyl)-6,8-dimethylquinazoline
CID 114590385
[2-(2,4-difluorophenyl)quinazolin-4-yl]hydrazine
CID 62241786
2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol
CID 1394579
(4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine
CID 114754987
2-(4-methoxyquinazolin-2-yl)phenol
CID 4601327
2-methoxy-6-[4-(2-methylphenoxy)quinazolin-2-yl]phenol
CID 3347053
4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline
CID 114591044

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline?
The IUPAC name of 4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline (CID 162404266) is 4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline.
What is the SMILES notation for 4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline?
The canonical SMILES for 4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline is Cc1cc(F)ccc1-c1nc(OC(F)F)c2ccccc2n1.
What is the InChIKey of 4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline?
The InChIKey is NOIGQXZJAAQIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c1-9-8-10(17)6-7-11(9)14-20-13-5-3-2-4-12(13)15(21-14)22-16(18)19/h2-8,16H,1H3.
What are the key properties of 4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline?
4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline has a molecular weight of 304.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-(4-fluoro-2-methylphenyl)quinazoline is sourced from PubChem (CID 162404266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).