1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one

C27H24N4O — CID 57385735

IUPAC1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ccccn1)CC2
InChIInChI=1S/C27H24N4O/c32-26-27(12-15-30(16-13-27)19-21-8-5-6-14-28-21)23-9-2-4-11-25(23)31(26)22-17-20-7-1-3-10-24(20)29-18-22/h1-11,14,17-18H,12-13,15-16,19H2
InChIKeyMWBXOAORFUZOAW-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.84
Rot. Bonds3

About 1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one

1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 57385735) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is 1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID57385735
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ccccn1)CC2
InChIInChI=1S/C27H24N4O/c32-26-27(12-15-30(16-13-27)19-21-8-5-6-14-28-21)23-9-2-4-11-25(23)31(26)22-17-20-7-1-3-10-24(20)29-18-22/h1-11,14,17-18H,12-13,15-16,19H2
InChIKeyMWBXOAORFUZOAW-UHFFFAOYSA-N
XLogP4.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(-)-Eburnamonine
CID 71203
Linopirdine
CID 3932
Eburnamonine
CID 92112
(S)-1-(2-aza-bicyclo[2.2.2]octan-2-yl)-2-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)ethylamino)propan-2-yl)-1H-indol-5-yl)-2-methylpropan-1-one
CID 10231401
(2S)-2-amino-3-(1H-indol-3-yl)-N-{5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}propanamide
CID 10172738
2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
CID 11430774
(S)-5-methyl-2-(quinuclidin-3-yl)-2,3-dihydropyrrolo[4,3,2-de]isoquinolin-1(5H)-one
CID 53316626
1'-[(3-Methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 57384999
N-[4-(4-quinolin-3-ylpiperazin-1-yl)butyl]benzamide
CID 57873499
2-Quinolin-8-ylisoindole-1,3-dione
CID 615346
2-(4-methylpiperazine-1-carbonyl)-8H-benzo[c]indolo[3,2,1-ij][1,5]naphthyridin-8-one
CID 8016355
9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-2-(1-oxo-3-(1-piperidinyl)propyl)-1-(3-pyridinyl)-
CID 365605

Frequently Asked Questions

What is the IUPAC name of 1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one (CID 57385735) is 1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one is O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ccccn1)CC2.
What is the InChIKey of 1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is MWBXOAORFUZOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O/c32-26-27(12-15-30(16-13-27)19-21-8-5-6-14-28-21)23-9-2-4-11-25(23)31(26)22-17-20-7-1-3-10-24(20)29-18-22/h1-11,14,17-18H,12-13,15-16,19H2.
What are the key properties of 1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 420.52 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 57385735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).