3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile

C18H17N3O — CID 124614698

IUPAC3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile
SMILESC[C@@H](Nc1ccc2c(c1)NC(=O)CC2)c1cccc(C#N)c1
InChIInChI=1S/C18H17N3O/c1-12(15-4-2-3-13(9-15)11-19)20-16-7-5-14-6-8-18(22)21-17(14)10-16/h2-5,7,9-10,12,20H,6,8H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyTUHAEBMSSDGPMP-GFCCVEGCSA-N
MW291.35 g/mol
LogP3.62
Rot. Bonds3

About 3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile

3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile (PubChem CID 124614698) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile
PubChem CID124614698
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile
SMILESC[C@@H](Nc1ccc2c(c1)NC(=O)CC2)c1cccc(C#N)c1
InChIInChI=1S/C18H17N3O/c1-12(15-4-2-3-13(9-15)11-19)20-16-7-5-14-6-8-18(22)21-17(14)10-16/h2-5,7,9-10,12,20H,6,8H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyTUHAEBMSSDGPMP-GFCCVEGCSA-N
XLogP3.62
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
2-chloro-5-[1-(3-cyanophenyl)ethylamino]benzonitrile
CID 43781788
6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737991
2-fluoro-6-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]benzonitrile
CID 94432750
3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60942687
3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
CID 43782624
3-[1-(3-nitrophenyl)ethylamino]benzonitrile
CID 43180652
3-[1-(3-chloro-4-ethoxyanilino)ethyl]benzonitrile
CID 60943016
5-nitro-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethylamino]benzonitrile
CID 47054391
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 43775849
4-[1-(3-methylphenyl)ethylamino]benzonitrile
CID 43763775
3-(1-hydrazinylethyl)benzonitrile
CID 63990931

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile?
The IUPAC name of 3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile (CID 124614698) is 3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile.
What is the SMILES notation for 3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile?
The canonical SMILES for 3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile is C[C@@H](Nc1ccc2c(c1)NC(=O)CC2)c1cccc(C#N)c1.
What is the InChIKey of 3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile?
The InChIKey is TUHAEBMSSDGPMP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12(15-4-2-3-13(9-15)11-19)20-16-7-5-14-6-8-18(22)21-17(14)10-16/h2-5,7,9-10,12,20H,6,8H2,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile?
3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile has a molecular weight of 291.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]benzonitrile is sourced from PubChem (CID 124614698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).