2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline

C20H18F2N2O2S — CID 24579298

IUPAC2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline
SMILESCOc1cc(CSc2nc(C3CC3)nc3ccccc23)ccc1OC(F)F
InChIInChI=1S/C20H18F2N2O2S/c1-25-17-10-12(6-9-16(17)26-20(21)22)11-27-19-14-4-2-3-5-15(14)23-18(24-19)13-7-8-13/h2-6,9-10,13,20H,7-8,11H2,1H3
InChIKeyCMAUOUBUYGLXCG-UHFFFAOYSA-N
MW388.44 g/mol
LogP5.41
Rot. Bonds7

About 2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline

2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline (PubChem CID 24579298) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline.

Molecular Properties

Compound Name2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline
PubChem CID24579298
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC Name2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline
SMILESCOc1cc(CSc2nc(C3CC3)nc3ccccc23)ccc1OC(F)F
InChIInChI=1S/C20H18F2N2O2S/c1-25-17-10-12(6-9-16(17)26-20(21)22)11-27-19-14-4-2-3-5-15(14)23-18(24-19)13-7-8-13/h2-6,9-10,13,20H,7-8,11H2,1H3
InChIKeyCMAUOUBUYGLXCG-UHFFFAOYSA-N
XLogP5.41
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline with MolForge

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Related Compounds

3,4-dicyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazole
CID 9028316
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]pyrazin-2-amine
CID 106679000
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 32793666
1-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]piperidine
CID 24613602
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823902
N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
CID 8969520
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]butanoic acid
CID 105352638
2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline
CID 133311623
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 8506358
4-[4-cyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
CID 24659252
4-[(3-bromo-4-methoxyphenyl)methylsulfanyl]quinazoline
CID 60675179
4-[(3,4-dichlorophenyl)methylsulfanyl]-2-methylquinazoline
CID 7210038

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline?
The IUPAC name of 2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline (CID 24579298) is 2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline.
What is the SMILES notation for 2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline?
The canonical SMILES for 2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline is COc1cc(CSc2nc(C3CC3)nc3ccccc23)ccc1OC(F)F.
What is the InChIKey of 2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline?
The InChIKey is CMAUOUBUYGLXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c1-25-17-10-12(6-9-16(17)26-20(21)22)11-27-19-14-4-2-3-5-15(14)23-18(24-19)13-7-8-13/h2-6,9-10,13,20H,7-8,11H2,1H3.
What are the key properties of 2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline?
2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline has a molecular weight of 388.44 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazoline is sourced from PubChem (CID 24579298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).