3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

C17H14N4O2 — CID 135502650

IUPAC3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(O)cc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12
InChIInChI=1S/C17H14N4O2/c1-9-6-7-10(22)8-13(9)21-16(18)14-15(20-21)11-4-2-3-5-12(11)19-17(14)23/h2-8,22H,18H2,1H3,(H,19,23)
InChIKeyYNMDHNNWFZGEHY-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.46
Rot. Bonds1

About 3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135502650) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135502650
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(O)cc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12
InChIInChI=1S/C17H14N4O2/c1-9-6-7-10(22)8-13(9)21-16(18)14-15(20-21)11-4-2-3-5-12(11)19-17(14)23/h2-8,22H,18H2,1H3,(H,19,23)
InChIKeyYNMDHNNWFZGEHY-UHFFFAOYSA-N
XLogP2.46
TPSA96.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135502650) is 3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is Cc1ccc(O)cc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12.
What is the InChIKey of 3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is YNMDHNNWFZGEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-9-6-7-10(22)8-13(9)21-16(18)14-15(20-21)11-4-2-3-5-12(11)19-17(14)23/h2-8,22H,18H2,1H3,(H,19,23).
What are the key properties of 3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 306.33 g/mol, XLogP of 2.46, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135502650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).