6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline

C16H20N2O3S — CID 157041055

IUPAC6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline
SMILESCOc1cc2ncnc(OCC3CCSCC3)c2cc1OC
InChIInChI=1S/C16H20N2O3S/c1-19-14-7-12-13(8-15(14)20-2)17-10-18-16(12)21-9-11-3-5-22-6-4-11/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyBTXFXZMAUJTGQB-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.17
Rot. Bonds5

About 6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline

6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline (PubChem CID 157041055) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline
PubChem CID157041055
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline
SMILESCOc1cc2ncnc(OCC3CCSCC3)c2cc1OC
InChIInChI=1S/C16H20N2O3S/c1-19-14-7-12-13(8-15(14)20-2)17-10-18-16(12)21-9-11-3-5-22-6-4-11/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyBTXFXZMAUJTGQB-UHFFFAOYSA-N
XLogP3.17
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 143865456
4-(cyclopropylmethoxy)-5-methoxy-6-methylpyrimidine
CID 129261235
6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 154575992
6,7-dimethoxy-4-propylquinazoline
CID 4077807
4-cyclohexyl-6,7-dimethoxyquinazoline
CID 67650996
6,7-dimethoxy-4-methylquinazoline
CID 4319422
(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
CID 155128602
6,7-dimethoxy-4-[3-(sulfinatoamino)propoxy]quinazoline
CID 166071327
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one
CID 22030579
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline
CID 10980561

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline?
The IUPAC name of 6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline (CID 157041055) is 6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline is COc1cc2ncnc(OCC3CCSCC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline?
The InChIKey is BTXFXZMAUJTGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-19-14-7-12-13(8-15(14)20-2)17-10-18-16(12)21-9-11-3-5-22-6-4-11/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline?
6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline has a molecular weight of 320.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline is sourced from PubChem (CID 157041055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).