1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride

C22H24Cl2N4O — CID 154895878

IUPAC1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride
SMILESCl.Cl.O=C1N(Cc2cccc3cccnc23)c2ccccc2NC12CCNCC2
InChIInChI=1S/C22H22N4O.2ClH/c27-21-22(10-13-23-14-11-22)25-18-8-1-2-9-19(18)26(21)15-17-6-3-5-16-7-4-12-24-20(16)17;;/h1-9,12,23,25H,10-11,13-15H2;2*1H
InChIKeyBJSAJTVBYCPVFR-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.16
Rot. Bonds2

About 1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride

1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride (PubChem CID 154895878) has the molecular formula C22H24Cl2N4O and a molecular weight of 431.37 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride.

Molecular Properties

Compound Name1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride
PubChem CID154895878
Molecular FormulaC22H24Cl2N4O
Molecular Weight431.37 g/mol
Exact Mass430.13
IUPAC Name1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride
SMILESCl.Cl.O=C1N(Cc2cccc3cccnc23)c2ccccc2NC12CCNCC2
InChIInChI=1S/C22H22N4O.2ClH/c27-21-22(10-13-23-14-11-22)25-18-8-1-2-9-19(18)26(21)15-17-6-3-5-16-7-4-12-24-20(16)17;;/h1-9,12,23,25H,10-11,13-15H2;2*1H
InChIKeyBJSAJTVBYCPVFR-UHFFFAOYSA-N
XLogP4.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70712830
1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154895737
1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70721786
1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154897153
1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70714136
1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70740820
N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride
CID 154897183
1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70751368
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
1-(quinolin-8-ylmethyl)indole-2,3-dione
CID 3008305
2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 120907566

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride?
The IUPAC name of 1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride (CID 154895878) is 1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride.
What is the SMILES notation for 1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride?
The canonical SMILES for 1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride is Cl.Cl.O=C1N(Cc2cccc3cccnc23)c2ccccc2NC12CCNCC2.
What is the InChIKey of 1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride?
The InChIKey is BJSAJTVBYCPVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.2ClH/c27-21-22(10-13-23-14-11-22)25-18-8-1-2-9-19(18)26(21)15-17-6-3-5-16-7-4-12-24-20(16)17;;/h1-9,12,23,25H,10-11,13-15H2;2*1H.
What are the key properties of 1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride?
1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride has a molecular weight of 431.37 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride is sourced from PubChem (CID 154895878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).