2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one

C25H31N3O — CID 21077961

IUPAC2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1CC1CCN(CCN2CCCc3ccccc32)CC1
InChIInChI=1S/C25H31N3O/c29-25-23-9-3-1-7-22(23)19-28(25)18-20-11-14-26(15-12-20)16-17-27-13-5-8-21-6-2-4-10-24(21)27/h1-4,6-7,9-10,20H,5,8,11-19H2
InChIKeyYQRPULPGFFVRHO-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.81
Rot. Bonds5

About 2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one

2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one (PubChem CID 21077961) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
PubChem CID21077961
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1CC1CCN(CCN2CCCc3ccccc32)CC1
InChIInChI=1S/C25H31N3O/c29-25-23-9-3-1-7-22(23)19-28(25)18-20-11-14-26(15-12-20)16-17-27-13-5-8-21-6-2-4-10-24(21)27/h1-4,6-7,9-10,20H,5,8,11-19H2
InChIKeyYQRPULPGFFVRHO-UHFFFAOYSA-N
XLogP3.81
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one with MolForge

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Related Compounds

but-2-enedioic acid;2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
CID 69372552
2-[[1-(2-phenylsulfanylethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one
CID 21078154
1-[2-(4-methylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline
CID 54807289
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
2-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]ethyl methanesulfonate
CID 21078139
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]imidazolidin-2-one
CID 75434932
2-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
CID 21077957
2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422912
(E)-but-2-enedioic acid;2-[[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
CID 21078113
2-[[1-[2-(4-fluoro-N-methylanilino)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078142
2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one
CID 166071547

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one?
The IUPAC name of 2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one (CID 21077961) is 2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one is O=C1c2ccccc2CN1CC1CCN(CCN2CCCc3ccccc32)CC1.
What is the InChIKey of 2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one?
The InChIKey is YQRPULPGFFVRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c29-25-23-9-3-1-7-22(23)19-28(25)18-20-11-14-26(15-12-20)16-17-27-13-5-8-21-6-2-4-10-24(21)27/h1-4,6-7,9-10,20H,5,8,11-19H2.
What are the key properties of 2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one?
2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one has a molecular weight of 389.54 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 21077961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).