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

C30H34Cl2N8O2 — CID 159105243

IUPAC5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)n(CC[C@@H](C)N)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC[C@H](C)N)c1ccc(Cl)cc21
InChIInChI=1S/2C15H17ClN4O/c2*1-8(17)5-6-20-12-4-3-10(16)7-11(12)14-13(15(20)21)9(2)18-19-14/h2*3-4,7-8H,5-6,17H2,1-2H3,(H,18,19)/t2*8-/m10/s1
InChIKeyKDULVFHAQUMBAJ-RMTNWKGQSA-N
MW609.56 g/mol
LogP5.15
Rot. Bonds6

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

5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 159105243) has the molecular formula C30H34Cl2N8O2 and a molecular weight of 609.56 g/mol. Its IUPAC name is 5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID159105243
Molecular FormulaC30H34Cl2N8O2
Molecular Weight609.56 g/mol
Exact Mass608.22
IUPAC Name5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)n(CC[C@@H](C)N)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC[C@H](C)N)c1ccc(Cl)cc21
InChIInChI=1S/2C15H17ClN4O/c2*1-8(17)5-6-20-12-4-3-10(16)7-11(12)14-13(15(20)21)9(2)18-19-14/h2*3-4,7-8H,5-6,17H2,1-2H3,(H,18,19)/t2*8-/m10/s1
InChIKeyKDULVFHAQUMBAJ-RMTNWKGQSA-N
XLogP5.15
TPSA153.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.56
LogP ≤ 55.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 135742188
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
N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide
CID 10254735
5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 11279078
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
N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide
CID 58143407
8-chloro-3-methyl-5-[3-(thiophen-2-ylmethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one
CID 60046948

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one (CID 159105243) is 5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one is Cc1[nH]nc2c1c(=O)n(CC[C@@H](C)N)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC[C@H](C)N)c1ccc(Cl)cc21.
What is the InChIKey of 5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is KDULVFHAQUMBAJ-RMTNWKGQSA-N. The full InChI is InChI=1S/2C15H17ClN4O/c2*1-8(17)5-6-20-12-4-3-10(16)7-11(12)14-13(15(20)21)9(2)18-19-14/h2*3-4,7-8H,5-6,17H2,1-2H3,(H,18,19)/t2*8-/m10/s1.
What are the key properties of 5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 609.56 g/mol, XLogP of 5.15, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 159105243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).