3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol

C17H15N3O2 — CID 3158665

IUPAC3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol
SMILESCc1cc2n(n1)C(c1cccc(O)c1O)Nc1ccccc1-2
InChIInChI=1S/C17H15N3O2/c1-10-9-14-11-5-2-3-7-13(11)18-17(20(14)19-10)12-6-4-8-15(21)16(12)22/h2-9,17-18,21-22H,1H3
InChIKeyMJBQIFVKUPOKBC-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.24
Rot. Bonds1

About 3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol

3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol (PubChem CID 3158665) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol
PubChem CID3158665
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol
SMILESCc1cc2n(n1)C(c1cccc(O)c1O)Nc1ccccc1-2
InChIInChI=1S/C17H15N3O2/c1-10-9-14-11-5-2-3-7-13(11)18-17(20(14)19-10)12-6-4-8-15(21)16(12)22/h2-9,17-18,21-22H,1H3
InChIKeyMJBQIFVKUPOKBC-UHFFFAOYSA-N
XLogP3.24
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol?
The IUPAC name of 3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol (CID 3158665) is 3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol.
What is the SMILES notation for 3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol?
The canonical SMILES for 3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol is Cc1cc2n(n1)C(c1cccc(O)c1O)Nc1ccccc1-2.
What is the InChIKey of 3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol?
The InChIKey is MJBQIFVKUPOKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-9-14-11-5-2-3-7-13(11)18-17(20(14)19-10)12-6-4-8-15(21)16(12)22/h2-9,17-18,21-22H,1H3.
What are the key properties of 3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol?
3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol has a molecular weight of 293.33 g/mol, XLogP of 3.24, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,2-diol is sourced from PubChem (CID 3158665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).