7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine

C23H21N7O3 — CID 169230622

About 7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine

7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine (PubChem CID 169230622) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine.

Molecular Properties

• Compound Name: 7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine
• PubChem CID: 169230622
• Molecular Formula: C23H21N7O3
• Molecular Weight: 443.47 g/mol
• Exact Mass: 443.17
• IUPAC Name: 7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine
• SMILES: COc1cc2ncnc(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3OC)c2cc1N
• InChI: InChI=1S/C23H21N7O3/c1-13-6-18(29-23-15-8-16(24)20(31-2)9-17(15)25-11-27-23)21(32-3)10-19(13)33-14-4-5-30-22(7-14)26-12-28-30/h4-12H,24H2,1-3H3,(H,25,27,29)
• InChIKey: FPCPJTZGZQFSTE-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 121.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.47
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine?

The IUPAC name of 7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine (CID 169230622) is 7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine.

What is the SMILES notation for 7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine?

The canonical SMILES for 7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine is COc1cc2ncnc(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3OC)c2cc1N.

What is the InChIKey of 7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine?

The InChIKey is FPCPJTZGZQFSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O3/c1-13-6-18(29-23-15-8-16(24)20(31-2)9-17(15)25-11-27-23)21(32-3)10-19(13)33-14-4-5-30-22(7-14)26-12-28-30/h4-12H,24H2,1-3H3,(H,25,27,29).

What are the key properties of 7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine?

7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine has a molecular weight of 443.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-4-N-[2-methoxy-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine is sourced from PubChem (CID 169230622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).