2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one

C21H25ClN4O2 — CID 75465735

IUPAC2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H25ClN4O2/c22-18-7-3-1-6-17(18)14-24-9-11-25(12-10-24)21(28)15-26-20(27)13-16-5-2-4-8-19(16)23-26/h1,3,6-7,13H,2,4-5,8-12,14-15H2
InChIKeyRXPHEIFDKHMOBY-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.12
Rot. Bonds4

About 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 75465735) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID75465735
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H25ClN4O2/c22-18-7-3-1-6-17(18)14-24-9-11-25(12-10-24)21(28)15-26-20(27)13-16-5-2-4-8-19(16)23-26/h1,3,6-7,13H,2,4-5,8-12,14-15H2
InChIKeyRXPHEIFDKHMOBY-UHFFFAOYSA-N
XLogP2.12
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

4-Chloro-5-[4-[(2-chlorophenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138483744
(E)-2-benzyl-6-(4-cinnamylpiperazine-1-carbonyl)pyridazin-3(2H)-one
CID 2097533
2-(2,6-dichlorobenzyl)-6-phenyl-5-piperidino-3(2H)-pyridazinone
CID 3815334
N-[(4-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 16031381
N-(2-chlorobenzyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 4423409
2-(4-benzyl-1-piperazinyl)-N'-[(E)-(2-chlorophenyl)methylidene]acetohydrazide
CID 6887128
N-(2-chlorobenzyl)-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide
CID 16031363
2-(2-chlorobenzyl)-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1471706
2-[(4-Chlorophenyl)methyl]-6-phenyl-5-(1-piperidinyl)-3-pyridazinone
CID 1472480
2-[(3-Chlorophenyl)methyl]-6-phenyl-5-(1-piperidinyl)-3-pyridazinone
CID 1472482
2-(2-chlorobenzyl)-6-phenyl-5-piperidino-3(2H)-pyridazinone
CID 1472483
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3245894

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 75465735) is 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=C(Cn1nc2c(cc1=O)CCCC2)N1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is RXPHEIFDKHMOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c22-18-7-3-1-6-17(18)14-24-9-11-25(12-10-24)21(28)15-26-20(27)13-16-5-2-4-8-19(16)23-26/h1,3,6-7,13H,2,4-5,8-12,14-15H2.
What are the key properties of 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 400.91 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 75465735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).