2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine

C22H21ClN4 — CID 10571608

IUPAC2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine
SMILESClc1ccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)cc1
InChIInChI=1S/C22H21ClN4/c23-15-10-12-17(13-11-15)27-14-19-18-8-4-5-9-20(18)25-22(21(19)26-27)24-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H,24,25)
InChIKeyUTPDFCMPLJDLGN-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.97
Rot. Bonds3

About 2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine

2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine (PubChem CID 10571608) has the molecular formula C22H21ClN4 and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine
PubChem CID10571608
Molecular FormulaC22H21ClN4
Molecular Weight376.89 g/mol
Exact Mass376.15
IUPAC Name2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine
SMILESClc1ccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)cc1
InChIInChI=1S/C22H21ClN4/c23-15-10-12-17(13-11-15)27-14-19-18-8-4-5-9-20(18)25-22(21(19)26-27)24-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H,24,25)
InChIKeyUTPDFCMPLJDLGN-UHFFFAOYSA-N
XLogP5.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine 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 2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine (CID 10571608) is 2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine is Clc1ccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is UTPDFCMPLJDLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4/c23-15-10-12-17(13-11-15)27-14-19-18-8-4-5-9-20(18)25-22(21(19)26-27)24-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H,24,25).
What are the key properties of 2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine?
2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 376.89 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclohexylpyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 10571608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).