1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline

C25H19F2N3O — CID 20852822

IUPAC1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2c(F)cc(F)cc23)c1
InChIInChI=1S/C25H19F2N3O/c1-14-7-8-18(9-15(14)2)30-25-20-11-17(26)12-22(27)24(20)28-13-21(25)23(29-30)16-5-4-6-19(10-16)31-3/h4-13H,1-3H3
InChIKeyOLNNKQODUWNSJF-UHFFFAOYSA-N
MW415.44 g/mol
LogP6.14
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline

1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852822) has the molecular formula C25H19F2N3O and a molecular weight of 415.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852822
Molecular FormulaC25H19F2N3O
Molecular Weight415.44 g/mol
Exact Mass415.15
IUPAC Name1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2c(F)cc(F)cc23)c1
InChIInChI=1S/C25H19F2N3O/c1-14-7-8-18(9-15(14)2)30-25-20-11-17(26)12-22(27)24(20)28-13-21(25)23(29-30)16-5-4-6-19(10-16)31-3/h4-13H,1-3H3
InChIKeyOLNNKQODUWNSJF-UHFFFAOYSA-N
XLogP6.14
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.44
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline (CID 20852822) is 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline is COc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2c(F)cc(F)cc23)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is OLNNKQODUWNSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O/c1-14-7-8-18(9-15(14)2)30-25-20-11-17(26)12-22(27)24(20)28-13-21(25)23(29-30)16-5-4-6-19(10-16)31-3/h4-13H,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
1-(3,4-dimethylphenyl)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 415.44 g/mol, XLogP of 6.14, 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)-6,8-difluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).