8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline

C25H20ClN3 — CID 20852797

IUPAC8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline
SMILESCCc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(Cl)cc23)cc1
InChIInChI=1S/C25H20ClN3/c1-3-17-6-8-18(9-7-17)24-22-15-27-23-13-10-19(26)14-21(23)25(22)29(28-24)20-11-4-16(2)5-12-20/h4-15H,3H2,1-2H3
InChIKeyCZFSDWULUYPPFZ-UHFFFAOYSA-N
MW397.91 g/mol
LogP6.76
Rot. Bonds3

About 8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline

8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852797) has the molecular formula C25H20ClN3 and a molecular weight of 397.91 g/mol. Its IUPAC name is 8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852797
Molecular FormulaC25H20ClN3
Molecular Weight397.91 g/mol
Exact Mass397.13
IUPAC Name8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline
SMILESCCc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(Cl)cc23)cc1
InChIInChI=1S/C25H20ClN3/c1-3-17-6-8-18(9-7-17)24-22-15-27-23-13-10-19(26)14-21(23)25(22)29(28-24)20-11-4-16(2)5-12-20/h4-15H,3H2,1-2H3
InChIKeyCZFSDWULUYPPFZ-UHFFFAOYSA-N
XLogP6.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.91
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline
CID 20852791
1-(4-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline
CID 20852477
8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852730
1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
CID 20852806
1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
CID 20953396
1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
CID 20953395
3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline
CID 20852861
8-fluoro-1-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20953354
ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
CID 20852512
1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline
CID 20852726
ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
CID 20852601
1-(4-fluorophenyl)-8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852568

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline (CID 20852797) is 8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline is CCc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(Cl)cc23)cc1.
What is the InChIKey of 8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is CZFSDWULUYPPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3/c1-3-17-6-8-18(9-7-17)24-22-15-27-23-13-10-19(26)14-21(23)25(22)29(28-24)20-11-4-16(2)5-12-20/h4-15H,3H2,1-2H3.
What are the key properties of 8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 397.91 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).