2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol

C20H21N3O2 — CID 1095727

About 2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol

2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (PubChem CID 1095727) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.

Molecular Properties

• Compound Name: 2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
• PubChem CID: 1095727
• Molecular Formula: C20H21N3O2
• Molecular Weight: 335.41 g/mol
• Exact Mass: 335.16
• IUPAC Name: 2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
• SMILES: COc1cccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1O
• InChI: InChI=1S/C20H21N3O2/c1-11-8-12(2)18-15(9-11)16-10-13(3)22-23(16)20(21-18)14-6-5-7-17(25-4)19(14)24/h5-10,20-21,24H,1-4H3/t20-/m1/s1
• InChIKey: WSLDXWMYULRVET-HXUWFJFHSA-N
• XLogP: 4.16
• TPSA: 59.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.41
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?

The IUPAC name of 2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (CID 1095727) is 2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.

What is the SMILES notation for 2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?

The canonical SMILES for 2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is COc1cccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1O.

What is the InChIKey of 2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?

The InChIKey is WSLDXWMYULRVET-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-11-8-12(2)18-15(9-11)16-10-13(3)22-23(16)20(21-18)14-6-5-7-17(25-4)19(14)24/h5-10,20-21,24H,1-4H3/t20-/m1/s1.

What are the key properties of 2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?

2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol has a molecular weight of 335.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is sourced from PubChem (CID 1095727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).