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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Related Compounds

1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
N'-(11H-indolo(3,2-c)quinolin-6-yl)-N,N-dimethylethane-1,2-diamine
CID 24204050
6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 71549763
3-hydrazinyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
CID 6401261
5-Methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-ylamine
CID 607943
N-((1R)-1-phenylethyl)-6-(1H-pyrazolo(3,4-d)pyrimidin-4-yl)quinazolin-2-amine
CID 135281127
4-phenyl-5H-pyridazino[4,3-b]indol-3-amine
CID 5272072
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
CID 138857395
5-Propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
CID 893376
5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263416

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).