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

C17H14FN5 — CID 135261833

IUPAC7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
SMILESCc1ccc(Nc2nc3cc(F)ccc3c3[nH]nc(N)c23)cc1
InChIInChI=1S/C17H14FN5/c1-9-2-5-11(6-3-9)20-17-14-15(22-23-16(14)19)12-7-4-10(18)8-13(12)21-17/h2-8H,1H3,(H,20,21)(H3,19,22,23)
InChIKeyUQFVEAVBJAOZHF-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.88
Rot. Bonds2

About 7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine

7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine (PubChem CID 135261833) has the molecular formula C17H14FN5 and a molecular weight of 307.33 g/mol. Its IUPAC name is 7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine.

Molecular Properties

Compound Name7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
PubChem CID135261833
Molecular FormulaC17H14FN5
Molecular Weight307.33 g/mol
Exact Mass307.12
IUPAC Name7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
SMILESCc1ccc(Nc2nc3cc(F)ccc3c3[nH]nc(N)c23)cc1
InChIInChI=1S/C17H14FN5/c1-9-2-5-11(6-3-9)20-17-14-15(22-23-16(14)19)12-7-4-10(18)8-13(12)21-17/h2-8H,1H3,(H,20,21)(H3,19,22,23)
InChIKeyUQFVEAVBJAOZHF-UHFFFAOYSA-N
XLogP3.88
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine?
The IUPAC name of 7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine (CID 135261833) is 7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine.
What is the SMILES notation for 7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine?
The canonical SMILES for 7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine is Cc1ccc(Nc2nc3cc(F)ccc3c3[nH]nc(N)c23)cc1.
What is the InChIKey of 7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine?
The InChIKey is UQFVEAVBJAOZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5/c1-9-2-5-11(6-3-9)20-17-14-15(22-23-16(14)19)12-7-4-10(18)8-13(12)21-17/h2-8H,1H3,(H,20,21)(H3,19,22,23).
What are the key properties of 7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine?
7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine has a molecular weight of 307.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine is sourced from PubChem (CID 135261833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).