4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine

C17H15N5 — CID 11140796

IUPAC4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
SMILESCc1ccc(Nc2nc3ccccc3c3[nH]nc(N)c23)cc1
InChIInChI=1S/C17H15N5/c1-10-6-8-11(9-7-10)19-17-14-15(21-22-16(14)18)12-4-2-3-5-13(12)20-17/h2-9H,1H3,(H,19,20)(H3,18,21,22)
InChIKeyPYNAHKFECFKEMV-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.75
Rot. Bonds2

About 4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine

4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine (PubChem CID 11140796) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
PubChem CID11140796
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
SMILESCc1ccc(Nc2nc3ccccc3c3[nH]nc(N)c23)cc1
InChIInChI=1S/C17H15N5/c1-10-6-8-11(9-7-10)19-17-14-15(21-22-16(14)18)12-4-2-3-5-13(12)20-17/h2-9H,1H3,(H,19,20)(H3,18,21,22)
InChIKeyPYNAHKFECFKEMV-UHFFFAOYSA-N
XLogP3.75
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine?
The IUPAC name of 4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine (CID 11140796) is 4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine?
The canonical SMILES for 4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine is Cc1ccc(Nc2nc3ccccc3c3[nH]nc(N)c23)cc1.
What is the InChIKey of 4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine?
The InChIKey is PYNAHKFECFKEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-10-6-8-11(9-7-10)19-17-14-15(21-22-16(14)18)12-4-2-3-5-13(12)20-17/h2-9H,1H3,(H,19,20)(H3,18,21,22).
What are the key properties of 4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine?
4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine has a molecular weight of 289.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine is sourced from PubChem (CID 11140796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).