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

C17H14ClN5 — CID 135261881

IUPAC8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
SMILESCc1ccc(Nc2nc3ccc(Cl)cc3c3[nH]nc(N)c23)cc1
InChIInChI=1S/C17H14ClN5/c1-9-2-5-11(6-3-9)20-17-14-15(22-23-16(14)19)12-8-10(18)4-7-13(12)21-17/h2-8H,1H3,(H,20,21)(H3,19,22,23)
InChIKeyLABZDBRZDSGOTR-UHFFFAOYSA-N
MW323.79 g/mol
LogP4.40
Rot. Bonds2

About 8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine

8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine (PubChem CID 135261881) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine.

Molecular Properties

Compound Name8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
PubChem CID135261881
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
SMILESCc1ccc(Nc2nc3ccc(Cl)cc3c3[nH]nc(N)c23)cc1
InChIInChI=1S/C17H14ClN5/c1-9-2-5-11(6-3-9)20-17-14-15(22-23-16(14)19)12-8-10(18)4-7-13(12)21-17/h2-8H,1H3,(H,20,21)(H3,19,22,23)
InChIKeyLABZDBRZDSGOTR-UHFFFAOYSA-N
XLogP4.40
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine?
The IUPAC name of 8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine (CID 135261881) is 8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine.
What is the SMILES notation for 8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine?
The canonical SMILES for 8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine is Cc1ccc(Nc2nc3ccc(Cl)cc3c3[nH]nc(N)c23)cc1.
What is the InChIKey of 8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine?
The InChIKey is LABZDBRZDSGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c1-9-2-5-11(6-3-9)20-17-14-15(22-23-16(14)19)12-8-10(18)4-7-13(12)21-17/h2-8H,1H3,(H,20,21)(H3,19,22,23).
What are the key properties of 8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine?
8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine has a molecular weight of 323.79 g/mol, XLogP of 4.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine is sourced from PubChem (CID 135261881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).