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

C17H13N3 — CID 46343695

IUPAC3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-c2n[nH]c3c2cnc2ccccc23)cc1
InChIInChI=1S/C17H13N3/c1-11-6-8-12(9-7-11)16-14-10-18-15-5-3-2-4-13(15)17(14)20-19-16/h2-10H,1H3,(H,19,20)
InChIKeyWVOOLBYQUDFWOB-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.09
Rot. Bonds1

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

3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline (PubChem CID 46343695) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline
PubChem CID46343695
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-c2n[nH]c3c2cnc2ccccc23)cc1
InChIInChI=1S/C17H13N3/c1-11-6-8-12(9-7-11)16-14-10-18-15-5-3-2-4-13(15)17(14)20-19-16/h2-10H,1H3,(H,19,20)
InChIKeyWVOOLBYQUDFWOB-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline?
The IUPAC name of 3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline (CID 46343695) is 3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline.
What is the SMILES notation for 3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline?
The canonical SMILES for 3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline is Cc1ccc(-c2n[nH]c3c2cnc2ccccc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline?
The InChIKey is WVOOLBYQUDFWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-11-6-8-12(9-7-11)16-14-10-18-15-5-3-2-4-13(15)17(14)20-19-16/h2-10H,1H3,(H,19,20).
What are the key properties of 3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline?
3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline has a molecular weight of 259.31 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline is sourced from PubChem (CID 46343695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).