3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline

C26H23N3O — CID 2138148

IUPAC3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc(-c2nnc3c4ccccc4n(Cc4cccc(C)c4)cc2-3)cc1
InChIInChI=1S/C26H23N3O/c1-3-30-21-13-11-20(12-14-21)25-23-17-29(16-19-8-6-7-18(2)15-19)24-10-5-4-9-22(24)26(23)28-27-25/h4-15,17H,3,16H2,1-2H3
InChIKeyBQAFTNLDXCZWFH-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.96
Rot. Bonds5

About 3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline

3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline (PubChem CID 2138148) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
PubChem CID2138148
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc(-c2nnc3c4ccccc4n(Cc4cccc(C)c4)cc2-3)cc1
InChIInChI=1S/C26H23N3O/c1-3-30-21-13-11-20(12-14-21)25-23-17-29(16-19-8-6-7-18(2)15-19)24-10-5-4-9-22(24)26(23)28-27-25/h4-15,17H,3,16H2,1-2H3
InChIKeyBQAFTNLDXCZWFH-UHFFFAOYSA-N
XLogP5.96
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline (CID 2138148) is 3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline is CCOc1ccc(-c2nnc3c4ccccc4n(Cc4cccc(C)c4)cc2-3)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline?
The InChIKey is BQAFTNLDXCZWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-3-30-21-13-11-20(12-14-21)25-23-17-29(16-19-8-6-7-18(2)15-19)24-10-5-4-9-22(24)26(23)28-27-25/h4-15,17H,3,16H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline?
3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline has a molecular weight of 393.49 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2138148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).