4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol

C17H14N4O — CID 15290744

IUPAC4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol
SMILESCc1cc(Nc2ccc(O)cc2)c2c(ccc3cn[nH]c32)n1
InChIInChI=1S/C17H14N4O/c1-10-8-15(20-12-3-5-13(22)6-4-12)16-14(19-10)7-2-11-9-18-21-17(11)16/h2-9,22H,1H3,(H,18,21)(H,19,20)
InChIKeyATBNQFQNVNQUSI-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.87
Rot. Bonds2

About 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol

4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol (PubChem CID 15290744) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol.

Molecular Properties

Compound Name4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol
PubChem CID15290744
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol
SMILESCc1cc(Nc2ccc(O)cc2)c2c(ccc3cn[nH]c32)n1
InChIInChI=1S/C17H14N4O/c1-10-8-15(20-12-3-5-13(22)6-4-12)16-14(19-10)7-2-11-9-18-21-17(11)16/h2-9,22H,1H3,(H,18,21)(H,19,20)
InChIKeyATBNQFQNVNQUSI-UHFFFAOYSA-N
XLogP3.87
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol?
The IUPAC name of 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol (CID 15290744) is 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol.
What is the SMILES notation for 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol?
The canonical SMILES for 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol is Cc1cc(Nc2ccc(O)cc2)c2c(ccc3cn[nH]c32)n1.
What is the InChIKey of 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol?
The InChIKey is ATBNQFQNVNQUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-10-8-15(20-12-3-5-13(22)6-4-12)16-14(19-10)7-2-11-9-18-21-17(11)16/h2-9,22H,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol?
4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol has a molecular weight of 290.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methyl-1H-pyrazolo[5,4-f]quinolin-9-yl)amino]phenol is sourced from PubChem (CID 15290744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).