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

C25H23N5O — CID 173082540

IUPAC1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ncc[nH]1)CC2
InChIInChI=1S/C25H23N5O/c31-24-25(9-13-29(14-10-25)17-23-26-11-12-27-23)20-6-2-4-8-22(20)30(24)19-15-18-5-1-3-7-21(18)28-16-19/h1-8,11-12,15-16H,9-10,13-14,17H2,(H,26,27)
InChIKeyORKDHQCSFHWGKB-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.17
Rot. Bonds3

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

1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 173082540) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID173082540
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ncc[nH]1)CC2
InChIInChI=1S/C25H23N5O/c31-24-25(9-13-29(14-10-25)17-23-26-11-12-27-23)20-6-2-4-8-22(20)30(24)19-15-18-5-1-3-7-21(18)28-16-19/h1-8,11-12,15-16H,9-10,13-14,17H2,(H,26,27)
InChIKeyORKDHQCSFHWGKB-UHFFFAOYSA-N
XLogP4.17
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 56884127
3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
CID 95828196
3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one
CID 71426612
1-quinolin-3-ylpyrrole-2,5-dione
CID 62783124
tert-butyl 2-[2-[[2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-1'-yl]methyl]-3-pyridinyl]acetate
CID 91291112
3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one
CID 71426559
1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 134790656
5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one
CID 71426572
8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70781638
2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72839202
2-ethyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72895513
(4R)-2-ethyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97135166

Frequently Asked Questions

What is the IUPAC name of 1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one (CID 173082540) is 1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one is O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ncc[nH]1)CC2.
What is the InChIKey of 1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is ORKDHQCSFHWGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c31-24-25(9-13-29(14-10-25)17-23-26-11-12-27-23)20-6-2-4-8-22(20)30(24)19-15-18-5-1-3-7-21(18)28-16-19/h1-8,11-12,15-16H,9-10,13-14,17H2,(H,26,27).
What are the key properties of 1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 409.49 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 173082540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).