1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline

C25H21N3O — CID 15990592

IUPAC1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(C)c4)c3c2c1
InChIInChI=1S/C25H21N3O/c1-16-9-10-19(13-17(16)2)28-25-21-14-20(29-3)11-12-23(21)26-15-22(25)24(27-28)18-7-5-4-6-8-18/h4-15H,1-3H3
InChIKeyAMQYDWJAYANDHC-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.87
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline

1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 15990592) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID15990592
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(C)c4)c3c2c1
InChIInChI=1S/C25H21N3O/c1-16-9-10-19(13-17(16)2)28-25-21-14-20(29-3)11-12-23(21)26-15-22(25)24(27-28)18-7-5-4-6-8-18/h4-15H,1-3H3
InChIKeyAMQYDWJAYANDHC-UHFFFAOYSA-N
XLogP5.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline (CID 15990592) is 1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline is COc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(C)c4)c3c2c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is AMQYDWJAYANDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-16-9-10-19(13-17(16)2)28-25-21-14-20(29-3)11-12-23(21)26-15-22(25)24(27-28)18-7-5-4-6-8-18/h4-15H,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline?
1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 379.46 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 15990592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).