1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one

C24H26N4O — CID 10293541

IUPAC1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCN1CCN(c2nccc3ccccc23)CC1
InChIInChI=1S/C24H26N4O/c29-23-10-9-20-6-2-4-8-22(20)28(23)18-15-26-13-16-27(17-14-26)24-21-7-3-1-5-19(21)11-12-25-24/h1-8,11-12H,9-10,13-18H2
InChIKeyRALAMWGAXPWADQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.34
Rot. Bonds4

About 1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one

1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one (PubChem CID 10293541) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one
PubChem CID10293541
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCN1CCN(c2nccc3ccccc23)CC1
InChIInChI=1S/C24H26N4O/c29-23-10-9-20-6-2-4-8-22(20)28(23)18-15-26-13-16-27(17-14-26)24-21-7-3-1-5-19(21)11-12-25-24/h1-8,11-12H,9-10,13-18H2
InChIKeyRALAMWGAXPWADQ-UHFFFAOYSA-N
XLogP3.34
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 10109945
2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916157
4-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethylamino]chromen-2-one
CID 155549145
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
CID 66884891
1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
CID 12992360
3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 15544705
4-isoquinolin-1-ylthiomorpholine
CID 171328602
6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916410
1-amino-3-(4-isoquinolin-1-ylpiperazin-1-yl)propan-2-ol
CID 121415522
methylsulfanyl [7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl carbonate
CID 129274152
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one (CID 10293541) is 1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCN1CCN(c2nccc3ccccc23)CC1.
What is the InChIKey of 1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is RALAMWGAXPWADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-23-10-9-20-6-2-4-8-22(20)28(23)18-15-26-13-16-27(17-14-26)24-21-7-3-1-5-19(21)11-12-25-24/h1-8,11-12H,9-10,13-18H2.
What are the key properties of 1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one?
1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 386.50 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10293541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).