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

C24H17Cl2N3 — CID 20852730

IUPAC8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(Cl)cc23)cc1
InChIInChI=1S/C24H17Cl2N3/c1-14-3-6-16(7-4-14)23-20-13-27-22-10-8-17(25)11-19(22)24(20)29(28-23)18-9-5-15(2)21(26)12-18/h3-13H,1-2H3
InChIKeyRTQPWLKIUNTSLN-UHFFFAOYSA-N
MW418.33 g/mol
LogP7.16
Rot. Bonds2

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

8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852730) has the molecular formula C24H17Cl2N3 and a molecular weight of 418.33 g/mol. Its IUPAC name is 8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852730
Molecular FormulaC24H17Cl2N3
Molecular Weight418.33 g/mol
Exact Mass417.08
IUPAC Name8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(Cl)cc23)cc1
InChIInChI=1S/C24H17Cl2N3/c1-14-3-6-16(7-4-14)23-20-13-27-22-10-8-17(25)11-19(22)24(20)29(28-23)18-9-5-15(2)21(26)12-18/h3-13H,1-2H3
InChIKeyRTQPWLKIUNTSLN-UHFFFAOYSA-N
XLogP7.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.33
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline
CID 20852726
3-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene
CID 20953414
8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852797
1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline
CID 20852727
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
1-(4-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline
CID 20852477
1-(4-fluorophenyl)-8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852568
8-fluoro-1-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20953354
1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
CID 20852806
8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline
CID 20852567

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline (CID 20852730) is 8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline is Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(Cl)cc23)cc1.
What is the InChIKey of 8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is RTQPWLKIUNTSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3/c1-14-3-6-16(7-4-14)23-20-13-27-22-10-8-17(25)11-19(22)24(20)29(28-23)18-9-5-15(2)21(26)12-18/h3-13H,1-2H3.
What are the key properties of 8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 418.33 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).