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

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Related Compounds

N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Pyrazine-Pyridine Biheteroaryl 57
CID 5330391
N-(4-chlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-amine
CID 6419383
(1-Benzyl-1H-indazol-5-yl)-quinazolin-4-yl-amine
CID 44279444
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70981589
2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 10491577
2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 10612371
2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 10754789
1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 24971415
1-(3,5-dichlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093258
1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093263
N-{2-[3-chloro-5-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]phenyl}acetamide
CID 25093264

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).