4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile

C27H22N4O2 — CID 59552084

IUPAC4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile
SMILESN#Cc1ccc(O[C@H](c2cccnc2)[C@H](c2cccc3cccnc23)N2CCCC2=O)cc1
InChIInChI=1S/C27H22N4O2/c28-17-19-10-12-22(13-11-19)33-27(21-7-2-14-29-18-21)26(31-16-4-9-24(31)32)23-8-1-5-20-6-3-15-30-25(20)23/h1-3,5-8,10-15,18,26-27H,4,9,16H2/t26-,27+/m0/s1
InChIKeyAUGMPGNDZYVQRT-RRPNLBNLSA-N
MW434.50 g/mol
LogP4.99
Rot. Bonds6

About 4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile

4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile (PubChem CID 59552084) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile.

Molecular Properties

Compound Name4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile
PubChem CID59552084
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile
SMILESN#Cc1ccc(O[C@H](c2cccnc2)[C@H](c2cccc3cccnc23)N2CCCC2=O)cc1
InChIInChI=1S/C27H22N4O2/c28-17-19-10-12-22(13-11-19)33-27(21-7-2-14-29-18-21)26(31-16-4-9-24(31)32)23-8-1-5-20-6-3-15-30-25(20)23/h1-3,5-8,10-15,18,26-27H,4,9,16H2/t26-,27+/m0/s1
InChIKeyAUGMPGNDZYVQRT-RRPNLBNLSA-N
XLogP4.99
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile with MolForge

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Related Compounds

4-[(1S,2R)-1-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-2-quinolin-8-ylethoxy]benzonitrile
CID 59552040
4-[(1S,2R)-1-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)-2-phenylethoxy]benzonitrile
CID 59551979
4-[(2R)-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile
CID 143373089
1-[(1R,2S)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one
CID 59552004
1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one
CID 59552090
1-[(1S,2R)-2-[(4-chlorophenyl)methoxy]-2-(3,4-difluorophenyl)-1-pyridin-3-ylethyl]pyrrolidin-2-one
CID 59552146
(2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 95283248
4-[2-benzoyl-3-oxo-1-(2-oxopyrrolidin-1-yl)butyl]benzonitrile
CID 102489648
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide
CID 51193139
1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one
CID 89016860
2-chloro-2-quinolin-8-ylacetonitrile
CID 63968739
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 43396288

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile?
The IUPAC name of 4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile (CID 59552084) is 4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile.
What is the SMILES notation for 4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile?
The canonical SMILES for 4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile is N#Cc1ccc(O[C@H](c2cccnc2)[C@H](c2cccc3cccnc23)N2CCCC2=O)cc1.
What is the InChIKey of 4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile?
The InChIKey is AUGMPGNDZYVQRT-RRPNLBNLSA-N. The full InChI is InChI=1S/C27H22N4O2/c28-17-19-10-12-22(13-11-19)33-27(21-7-2-14-29-18-21)26(31-16-4-9-24(31)32)23-8-1-5-20-6-3-15-30-25(20)23/h1-3,5-8,10-15,18,26-27H,4,9,16H2/t26-,27+/m0/s1.
What are the key properties of 4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile?
4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile has a molecular weight of 434.50 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-(2-oxopyrrolidin-1-yl)-1-pyridin-3-yl-2-quinolin-8-ylethoxy]benzonitrile is sourced from PubChem (CID 59552084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).