8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine

C22H21ClN4 — CID 10547577

IUPAC8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine
SMILESClc1ccc2nc(NC3CCCCC3)c3nn(-c4ccccc4)cc3c2c1
InChIInChI=1S/C22H21ClN4/c23-15-11-12-20-18(13-15)19-14-27(17-9-5-2-6-10-17)26-21(19)22(25-20)24-16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8H2,(H,24,25)
InChIKeyJQFIOCXMMMPKNZ-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.97
Rot. Bonds3

About 8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine

8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine (PubChem CID 10547577) has the molecular formula C22H21ClN4 and a molecular weight of 376.89 g/mol. Its IUPAC name is 8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine
PubChem CID10547577
Molecular FormulaC22H21ClN4
Molecular Weight376.89 g/mol
Exact Mass376.15
IUPAC Name8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine
SMILESClc1ccc2nc(NC3CCCCC3)c3nn(-c4ccccc4)cc3c2c1
InChIInChI=1S/C22H21ClN4/c23-15-11-12-20-18(13-15)19-14-27(17-9-5-2-6-10-17)26-21(19)22(25-20)24-16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8H2,(H,24,25)
InChIKeyJQFIOCXMMMPKNZ-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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine (CID 10547577) is 8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine is Clc1ccc2nc(NC3CCCCC3)c3nn(-c4ccccc4)cc3c2c1.
What is the InChIKey of 8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is JQFIOCXMMMPKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4/c23-15-11-12-20-18(13-15)19-14-27(17-9-5-2-6-10-17)26-21(19)22(25-20)24-16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8H2,(H,24,25).
What are the key properties of 8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine?
8-chloro-N-cyclohexyl-2-phenylpyrazolo[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 8-chloro-N-cyclohexyl-2-phenylpyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 10547577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).