5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one

C21H29N5O — CID 143019803

IUPAC5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(CCN3CCCCC3)cc21
InChIInChI=1S/C21H29N5O/c1-15-19-20(24-23-15)17-14-16(8-13-25-10-3-2-4-11-25)6-7-18(17)26(21(19)27)12-5-9-22/h6-7,14H,2-5,8-13,22H2,1H3,(H,23,24)
InChIKeyXCLNWLGWEGSDPO-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.56
Rot. Bonds6

About 5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one

5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 143019803) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID143019803
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(CCN3CCCCC3)cc21
InChIInChI=1S/C21H29N5O/c1-15-19-20(24-23-15)17-14-16(8-13-25-10-3-2-4-11-25)6-7-18(17)26(21(19)27)12-5-9-22/h6-7,14H,2-5,8-13,22H2,1H3,(H,23,24)
InChIKeyXCLNWLGWEGSDPO-UHFFFAOYSA-N
XLogP2.56
TPSA79.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-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

Oxazyme
CID 11290583
5-Ethyl-3-methyl-1,5-dihydro-4H-pyrazolo[4,3-C]quinolin-4-one
CID 708346
4H-Pyrazolo[4,3-c]quinolin-4-one, 5-(3-aminopropyl)-8-chloro-2,5-dihydro-3-methyl-
CID 11185396
5-(3-aminopropyl)-7,8-dicyclohexyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443798
N-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]methyl]-5-methyl-1H-indazole-3-carboxamide
CID 9889536
5-(4-aminobutyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443797
N-isopropyl-3-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl}benzamide
CID 53317611
N-isopropyl-3-(5-(6-(4-methylpiperazin-1-yl)biphenyl-3-yl)-1H-pyrazol-3-yl)benzamide
CID 53322863
N-(cyanomethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53324194
N-(2-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53326662
3-Methyl-2,5-dihydro-1,2,5-triaza-cyclopenta[a]anthracen-4-one
CID 135988232
3-Methyl-2,5,7,8,9,10-hexahydro-1,2,5-triaza-cyclopenta[a]anthracen-4-one
CID 135999903

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one (CID 143019803) is 5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one is Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(CCN3CCCCC3)cc21.
What is the InChIKey of 5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is XCLNWLGWEGSDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-15-19-20(24-23-15)17-14-16(8-13-25-10-3-2-4-11-25)6-7-18(17)26(21(19)27)12-5-9-22/h6-7,14H,2-5,8-13,22H2,1H3,(H,23,24).
What are the key properties of 5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?
5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 367.50 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 143019803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).