6,7-dimethoxy-4-phenylsulfanylquinazoline

C16H14N2O2S — CID 141248835

IUPAC6,7-dimethoxy-4-phenylsulfanylquinazoline
SMILESCOc1cc2ncnc(Sc3ccccc3)c2cc1OC
InChIInChI=1S/C16H14N2O2S/c1-19-14-8-12-13(9-15(14)20-2)17-10-18-16(12)21-11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyPALFFZKNSCVLEC-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.80
Rot. Bonds4

About 6,7-dimethoxy-4-phenylsulfanylquinazoline

6,7-dimethoxy-4-phenylsulfanylquinazoline (PubChem CID 141248835) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 6,7-dimethoxy-4-phenylsulfanylquinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-phenylsulfanylquinazoline
PubChem CID141248835
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name6,7-dimethoxy-4-phenylsulfanylquinazoline
SMILESCOc1cc2ncnc(Sc3ccccc3)c2cc1OC
InChIInChI=1S/C16H14N2O2S/c1-19-14-8-12-13(9-15(14)20-2)17-10-18-16(12)21-11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyPALFFZKNSCVLEC-UHFFFAOYSA-N
XLogP3.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline
CID 2808855
2-(6,7-dimethoxyquinazolin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 71461003
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(6,7-dimethoxyquinazolin-4-yl)sulfanylphenyl]urea
CID 58267764
6,7-dimethoxy-4-methylquinazoline
CID 4319422
1-[3-(6,7-dimethoxyquinazolin-4-yl)sulfanylphenyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 58267923
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
1-[3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]sulfanylphenyl]-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]urea
CID 121479954
1,3,5-trimethoxy-2,4-bis(phenylsulfanyl)benzene
CID 138976814
6,7-dimethoxy-4-pyrrol-1-ylquinazoline
CID 141163176
5-tert-butyl-3-[3-[7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]sulfanylphenyl]-1,2-oxazole
CID 66893805
4-(2-methoxyphenoxy)-5-nitro-6-phenylsulfanylpyrimidine
CID 22534103
N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide
CID 174565011

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-phenylsulfanylquinazoline?
The IUPAC name of 6,7-dimethoxy-4-phenylsulfanylquinazoline (CID 141248835) is 6,7-dimethoxy-4-phenylsulfanylquinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-phenylsulfanylquinazoline?
The canonical SMILES for 6,7-dimethoxy-4-phenylsulfanylquinazoline is COc1cc2ncnc(Sc3ccccc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-phenylsulfanylquinazoline?
The InChIKey is PALFFZKNSCVLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-19-14-8-12-13(9-15(14)20-2)17-10-18-16(12)21-11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 6,7-dimethoxy-4-phenylsulfanylquinazoline?
6,7-dimethoxy-4-phenylsulfanylquinazoline has a molecular weight of 298.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-phenylsulfanylquinazoline is sourced from PubChem (CID 141248835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).