8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one

C18H23ClN4O — CID 166030784

IUPAC8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(N3CCN(C4CCNCC4)CC3)cc(Cl)c12
InChIInChI=1S/C18H23ClN4O/c19-16-12-15(11-13-1-6-21-18(24)17(13)16)23-9-7-22(8-10-23)14-2-4-20-5-3-14/h1,6,11-12,14,20H,2-5,7-10H2,(H,21,24)
InChIKeyHBZBEXHRSVEVRW-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.06
Rot. Bonds2

About 8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one

8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one (PubChem CID 166030784) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one
PubChem CID166030784
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(N3CCN(C4CCNCC4)CC3)cc(Cl)c12
InChIInChI=1S/C18H23ClN4O/c19-16-12-15(11-13-1-6-21-18(24)17(13)16)23-9-7-22(8-10-23)14-2-4-20-5-3-14/h1,6,11-12,14,20H,2-5,7-10H2,(H,21,24)
InChIKeyHBZBEXHRSVEVRW-UHFFFAOYSA-N
XLogP2.06
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chlorobenzenesulfonyl chloride;8-chloro-6-[4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]piperidin-1-yl]-2H-isoquinolin-1-one;8-chloro-6-(4-piperidin-4-ylpiperidin-1-yl)-2H-isoquinolin-1-one;hydrochloride
CID 167604182
2-[4-[1-(8-chloro-1-oxo-2H-isoquinolin-6-yl)piperidin-4-yl]piperidin-1-yl]sulfonylbenzonitrile;8-chloro-6-(4-piperidin-4-ylpiperidin-1-yl)-2H-isoquinolin-1-one;2-cyanobenzenesulfonyl chloride;hydrochloride
CID 167538294
1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride
CID 175654296
1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 123982141
6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one
CID 174694546
3-amino-1-piperidin-4-yl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 142728717
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 114762371
4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[4-(oxan-4-yl)piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one
CID 137229569
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467
3-[3-oxo-6-(4-piperidin-4-ylpiperazin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 135216805

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one?
The IUPAC name of 8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one (CID 166030784) is 8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one.
What is the SMILES notation for 8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one?
The canonical SMILES for 8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one is O=c1[nH]ccc2cc(N3CCN(C4CCNCC4)CC3)cc(Cl)c12.
What is the InChIKey of 8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one?
The InChIKey is HBZBEXHRSVEVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c19-16-12-15(11-13-1-6-21-18(24)17(13)16)23-9-7-22(8-10-23)14-2-4-20-5-3-14/h1,6,11-12,14,20H,2-5,7-10H2,(H,21,24).
What are the key properties of 8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one?
8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one has a molecular weight of 346.86 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(4-piperidin-4-ylpiperazin-1-yl)-2H-isoquinolin-1-one is sourced from PubChem (CID 166030784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).