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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Related Compounds

Pyrazine-Pyridine Biheteroaryl 57
CID 5330391
N-(4-chlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-amine
CID 6419383
N'-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N,N-di(propan-2-yl)ethane-1,2-diamine
CID 945022
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
2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine
CID 132274773
N-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-8-amine
CID 6419380

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).