6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline

C22H18N6O3 — CID 25064511

IUPAC6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline
SMILESCOc1cc2ncnc(OCc3nnc4ccc(-c5ccccc5)nn34)c2cc1OC
InChIInChI=1S/C22H18N6O3/c1-29-18-10-15-17(11-19(18)30-2)23-13-24-22(15)31-12-21-26-25-20-9-8-16(27-28(20)21)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyHCTFQFFVPUAHLR-UHFFFAOYSA-N
MW414.43 g/mol
LogP3.33
Rot. Bonds6

About 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline

6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline (PubChem CID 25064511) has the molecular formula C22H18N6O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline
PubChem CID25064511
Molecular FormulaC22H18N6O3
Molecular Weight414.43 g/mol
Exact Mass414.14
IUPAC Name6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline
SMILESCOc1cc2ncnc(OCc3nnc4ccc(-c5ccccc5)nn34)c2cc1OC
InChIInChI=1S/C22H18N6O3/c1-29-18-10-15-17(11-19(18)30-2)23-13-24-22(15)31-12-21-26-25-20-9-8-16(27-28(20)21)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyHCTFQFFVPUAHLR-UHFFFAOYSA-N
XLogP3.33
TPSA96.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline?
The IUPAC name of 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline (CID 25064511) is 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline is COc1cc2ncnc(OCc3nnc4ccc(-c5ccccc5)nn34)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline?
The InChIKey is HCTFQFFVPUAHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3/c1-29-18-10-15-17(11-19(18)30-2)23-13-24-22(15)31-12-21-26-25-20-9-8-16(27-28(20)21)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline?
6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline has a molecular weight of 414.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline is sourced from PubChem (CID 25064511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).