2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride

C16H15Cl2N3O — CID 159576685

IUPAC2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride
SMILESCl.O=c1c2cnc3c(c2[nH]n1-c1ccccc1Cl)CCCC3
InChIInChI=1S/C16H14ClN3O.ClH/c17-12-6-2-4-8-14(12)20-16(21)11-9-18-13-7-3-1-5-10(13)15(11)19-20;/h2,4,6,8-9,19H,1,3,5,7H2;1H
InChIKeyFKRMSEKCLCWAHF-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.67
Rot. Bonds1

About 2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride

2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride (PubChem CID 159576685) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride
PubChem CID159576685
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride
SMILESCl.O=c1c2cnc3c(c2[nH]n1-c1ccccc1Cl)CCCC3
InChIInChI=1S/C16H14ClN3O.ClH/c17-12-6-2-4-8-14(12)20-16(21)11-9-18-13-7-3-1-5-10(13)15(11)19-20;/h2,4,6,8-9,19H,1,3,5,7H2;1H
InChIKeyFKRMSEKCLCWAHF-UHFFFAOYSA-N
XLogP3.67
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride (CID 159576685) is 2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride is Cl.O=c1c2cnc3c(c2[nH]n1-c1ccccc1Cl)CCCC3.
What is the InChIKey of 2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride?
The InChIKey is FKRMSEKCLCWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O.ClH/c17-12-6-2-4-8-14(12)20-16(21)11-9-18-13-7-3-1-5-10(13)15(11)19-20;/h2,4,6,8-9,19H,1,3,5,7H2;1H.
What are the key properties of 2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride?
2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride has a molecular weight of 336.22 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one;hydrochloride is sourced from PubChem (CID 159576685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).