2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol

C19H19N3O2 — CID 3158660

IUPAC2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
SMILESCCOc1cccc(C2Nc3ccccc3-c3cc(C)nn32)c1O
InChIInChI=1S/C19H19N3O2/c1-3-24-17-10-6-8-14(18(17)23)19-20-15-9-5-4-7-13(15)16-11-12(2)21-22(16)19/h4-11,19-20,23H,3H2,1-2H3
InChIKeyFCCGRUGCOHOBTH-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.94
Rot. Bonds3

About 2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol

2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol (PubChem CID 3158660) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol.

Molecular Properties

Compound Name2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
PubChem CID3158660
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
SMILESCCOc1cccc(C2Nc3ccccc3-c3cc(C)nn32)c1O
InChIInChI=1S/C19H19N3O2/c1-3-24-17-10-6-8-14(18(17)23)19-20-15-9-5-4-7-13(15)16-11-12(2)21-22(16)19/h4-11,19-20,23H,3H2,1-2H3
InChIKeyFCCGRUGCOHOBTH-UHFFFAOYSA-N
XLogP3.94
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
The IUPAC name of 2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol (CID 3158660) is 2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol.
What is the SMILES notation for 2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
The canonical SMILES for 2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol is CCOc1cccc(C2Nc3ccccc3-c3cc(C)nn32)c1O.
What is the InChIKey of 2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
The InChIKey is FCCGRUGCOHOBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-24-17-10-6-8-14(18(17)23)19-20-15-9-5-4-7-13(15)16-11-12(2)21-22(16)19/h4-11,19-20,23H,3H2,1-2H3.
What are the key properties of 2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol has a molecular weight of 321.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol is sourced from PubChem (CID 3158660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).