2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline

C17H14F2N2OS — CID 133311623

IUPAC2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline
SMILESCOc1ccccc1CSc1nc(C(F)F)nc2ccccc12
InChIInChI=1S/C17H14F2N2OS/c1-22-14-9-5-2-6-11(14)10-23-17-12-7-3-4-8-13(12)20-16(21-17)15(18)19/h2-9,15H,10H2,1H3
InChIKeyMYLPBZMIZIZTOC-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.87
Rot. Bonds5

About 2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline

2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline (PubChem CID 133311623) has the molecular formula C17H14F2N2OS and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline.

Molecular Properties

Compound Name2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline
PubChem CID133311623
Molecular FormulaC17H14F2N2OS
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline
SMILESCOc1ccccc1CSc1nc(C(F)F)nc2ccccc12
InChIInChI=1S/C17H14F2N2OS/c1-22-14-9-5-2-6-11(14)10-23-17-12-7-3-4-8-13(12)20-16(21-17)15(18)19/h2-9,15H,10H2,1H3
InChIKeyMYLPBZMIZIZTOC-UHFFFAOYSA-N
XLogP4.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline
CID 7145338
2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
4-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-2-methylquinazoline
CID 112774793
2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline
CID 24579298
2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine
CID 56575108
2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine
CID 56553723
methyl 3-[2-[(2-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate
CID 9066377
2-[(2-methoxyphenyl)methylsulfanyl]-N,N'-dimethylpropane-1,3-diamine
CID 67729660
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 7756067
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045
N-[(2-methoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667490

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline?
The IUPAC name of 2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline (CID 133311623) is 2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline.
What is the SMILES notation for 2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline?
The canonical SMILES for 2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline is COc1ccccc1CSc1nc(C(F)F)nc2ccccc12.
What is the InChIKey of 2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline?
The InChIKey is MYLPBZMIZIZTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2OS/c1-22-14-9-5-2-6-11(14)10-23-17-12-7-3-4-8-13(12)20-16(21-17)15(18)19/h2-9,15H,10H2,1H3.
What are the key properties of 2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline?
2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline has a molecular weight of 332.38 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline is sourced from PubChem (CID 133311623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).