3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline

C28H26ClN5 — CID 171853889

IUPAC3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccc(N4CCNCC4)c(Cl)c3)c3cnc4ccccc4c32)cc1C
InChIInChI=1S/C28H26ClN5/c1-18-7-9-21(15-19(18)2)34-28-22-5-3-4-6-25(22)31-17-23(28)27(32-34)20-8-10-26(24(29)16-20)33-13-11-30-12-14-33/h3-10,15-17,30H,11-14H2,1-2H3
InChIKeyFERDYXYESPANLV-UHFFFAOYSA-N
MW468.00 g/mol
LogP5.92
Rot. Bonds3

About 3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline

3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline (PubChem CID 171853889) has the molecular formula C28H26ClN5 and a molecular weight of 468.00 g/mol. Its IUPAC name is 3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline
PubChem CID171853889
Molecular FormulaC28H26ClN5
Molecular Weight468.00 g/mol
Exact Mass467.19
IUPAC Name3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccc(N4CCNCC4)c(Cl)c3)c3cnc4ccccc4c32)cc1C
InChIInChI=1S/C28H26ClN5/c1-18-7-9-21(15-19(18)2)34-28-22-5-3-4-6-25(22)31-17-23(28)27(32-34)20-8-10-26(24(29)16-20)33-13-11-30-12-14-33/h3-10,15-17,30H,11-14H2,1-2H3
InChIKeyFERDYXYESPANLV-UHFFFAOYSA-N
XLogP5.92
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.00
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline
CID 20852726
8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852730
1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline
CID 20852398
3-(3,4-dimethylphenyl)-5-phenyl-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 15990599
1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline
CID 20852536
1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline
CID 20852727
1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
CID 20852806
3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline
CID 171775671
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19586926
4-chloro-1-(3-chloro-4-methylphenyl)-3,5-bis(3,4-dichlorophenyl)pyrazole
CID 17025515
1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
CID 20953396

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline?
The IUPAC name of 3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline (CID 171853889) is 3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline.
What is the SMILES notation for 3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline?
The canonical SMILES for 3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline is Cc1ccc(-n2nc(-c3ccc(N4CCNCC4)c(Cl)c3)c3cnc4ccccc4c32)cc1C.
What is the InChIKey of 3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline?
The InChIKey is FERDYXYESPANLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5/c1-18-7-9-21(15-19(18)2)34-28-22-5-3-4-6-25(22)31-17-23(28)27(32-34)20-8-10-26(24(29)16-20)33-13-11-30-12-14-33/h3-10,15-17,30H,11-14H2,1-2H3.
What are the key properties of 3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline?
3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline has a molecular weight of 468.00 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-piperazin-1-ylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[4,5-c]quinoline is sourced from PubChem (CID 171853889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).