8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one

C17H21ClN4O — CID 143019914

IUPAC8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCC1NN=C2c3cc(Cl)ccc3N(CC3CCCNC3)C(=O)C21
InChIInChI=1S/C17H21ClN4O/c1-10-15-16(21-20-10)13-7-12(18)4-5-14(13)22(17(15)23)9-11-3-2-6-19-8-11/h4-5,7,10-11,15,19-20H,2-3,6,8-9H2,1H3
InChIKeyDPJOJOKKCFYXSA-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.00
Rot. Bonds2

About 8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one

8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 143019914) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID143019914
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCC1NN=C2c3cc(Cl)ccc3N(CC3CCCNC3)C(=O)C21
InChIInChI=1S/C17H21ClN4O/c1-10-15-16(21-20-10)13-7-12(18)4-5-14(13)22(17(15)23)9-11-3-2-6-19-8-11/h4-5,7,10-11,15,19-20H,2-3,6,8-9H2,1H3
InChIKeyDPJOJOKKCFYXSA-UHFFFAOYSA-N
XLogP2.00
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-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

5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one
CID 143150278
8-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]prop-1-ynyl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one
CID 143150290
6,6-dimethyl-3-(piperidin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836309
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one
CID 143237535
7-chloro-1-(cyclobutylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 154138660
6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile
CID 82147223
4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 82151139
5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117263607
10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride
CID 146675496
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
methyl 4-chloro-2-(piperidin-3-ylmethylsulfamoyl)benzoate
CID 119968783

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one (CID 143019914) is 8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one is CC1NN=C2c3cc(Cl)ccc3N(CC3CCCNC3)C(=O)C21.
What is the InChIKey of 8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is DPJOJOKKCFYXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-10-15-16(21-20-10)13-7-12(18)4-5-14(13)22(17(15)23)9-11-3-2-6-19-8-11/h4-5,7,10-11,15,19-20H,2-3,6,8-9H2,1H3.
What are the key properties of 8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one?
8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 332.84 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 143019914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).