8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one

C36H42Cl2N8O2 — CID 158593626

IUPAC8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)n(CC[C@@H]1CCCCN1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC[C@H]1CCCCN1)c1ccc(Cl)cc21
InChIInChI=1S/2C18H21ClN4O/c2*1-11-16-17(22-21-11)14-10-12(19)5-6-15(14)23(18(16)24)9-7-13-4-2-3-8-20-13/h2*5-6,10,13,20H,2-4,7-9H2,1H3,(H,21,22)/t2*13-/m10/s1
InChIKeyHUTBSWYDBWKVCY-JACLSRQLSA-N
MW689.69 g/mol
LogP6.74
Rot. Bonds6

About 8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one

8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 158593626) has the molecular formula C36H42Cl2N8O2 and a molecular weight of 689.69 g/mol. Its IUPAC name is 8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID158593626
Molecular FormulaC36H42Cl2N8O2
Molecular Weight689.69 g/mol
Exact Mass688.28
IUPAC Name8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)n(CC[C@@H]1CCCCN1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC[C@H]1CCCCN1)c1ccc(Cl)cc21
InChIInChI=1S/2C18H21ClN4O/c2*1-11-16-17(22-21-11)14-10-12(19)5-6-15(14)23(18(16)24)9-7-13-4-2-3-8-20-13/h2*5-6,10,13,20H,2-4,7-9H2,1H3,(H,21,22)/t2*13-/m10/s1
InChIKeyHUTBSWYDBWKVCY-JACLSRQLSA-N
XLogP6.74
TPSA125.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.69
LogP ≤ 56.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

4H-Pyrazolo[4,3-c]quinolin-4-one, 5-(3-aminopropyl)-8-chloro-2,5-dihydro-3-methyl-
CID 11185396
5-(4-aminobutyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443797
5-(2-aminoethyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443794
2-amino-3-(4-chlorophenyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide
CID 60047097
N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-fluorobenzamide
CID 157547735
5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 22713916
N-[[3-(9-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide
CID 22714154
4-chloro-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide
CID 60046951
5-(azetidin-3-ylmethyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 60046953
5-but-3-enyl-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 60046958
8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one
CID 60046966
5-[3-amino-3-(4-chlorophenyl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 60046971

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one (CID 158593626) is 8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one is Cc1[nH]nc2c1c(=O)n(CC[C@@H]1CCCCN1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC[C@H]1CCCCN1)c1ccc(Cl)cc21.
What is the InChIKey of 8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is HUTBSWYDBWKVCY-JACLSRQLSA-N. The full InChI is InChI=1S/2C18H21ClN4O/c2*1-11-16-17(22-21-11)14-10-12(19)5-6-15(14)23(18(16)24)9-7-13-4-2-3-8-20-13/h2*5-6,10,13,20H,2-4,7-9H2,1H3,(H,21,22)/t2*13-/m10/s1.
What are the key properties of 8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one?
8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 689.69 g/mol, XLogP of 6.74, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 158593626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).