3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline

C24H19N3 — CID 15990629

IUPAC3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccccc23)cc1C
InChIInChI=1S/C24H19N3/c1-16-12-13-18(14-17(16)2)23-21-15-25-22-11-7-6-10-20(22)24(21)27(26-23)19-8-4-3-5-9-19/h3-15H,1-2H3
InChIKeyKRHITIYFNHDEKX-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.86
Rot. Bonds2

About 3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline

3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline (PubChem CID 15990629) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline
PubChem CID15990629
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccccc23)cc1C
InChIInChI=1S/C24H19N3/c1-16-12-13-18(14-17(16)2)23-21-15-25-22-11-7-6-10-20(22)24(21)27(26-23)19-8-4-3-5-9-19/h3-15H,1-2H3
InChIKeyKRHITIYFNHDEKX-UHFFFAOYSA-N
XLogP5.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline (CID 15990629) is 3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline is Cc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccccc23)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline?
The InChIKey is KRHITIYFNHDEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-16-12-13-18(14-17(16)2)23-21-15-25-22-11-7-6-10-20(22)24(21)27(26-23)19-8-4-3-5-9-19/h3-15H,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline?
3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline has a molecular weight of 349.44 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-phenylpyrazolo[4,5-c]quinoline is sourced from PubChem (CID 15990629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).