4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile

C19H14N4 — CID 133310735

IUPAC4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile
SMILESCC(Nc1cc(C#N)nc2ccccc12)c1ccc(C#N)cc1
InChIInChI=1S/C19H14N4/c1-13(15-8-6-14(11-20)7-9-15)22-19-10-16(12-21)23-18-5-3-2-4-17(18)19/h2-10,13H,1H3,(H,22,23)
InChIKeyRZYBGFYSKRWPLS-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.15
Rot. Bonds3

About 4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile

4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile (PubChem CID 133310735) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile
PubChem CID133310735
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile
SMILESCC(Nc1cc(C#N)nc2ccccc12)c1ccc(C#N)cc1
InChIInChI=1S/C19H14N4/c1-13(15-8-6-14(11-20)7-9-15)22-19-10-16(12-21)23-18-5-3-2-4-17(18)19/h2-10,13H,1H3,(H,22,23)
InChIKeyRZYBGFYSKRWPLS-UHFFFAOYSA-N
XLogP4.15
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)ethyl]quinolin-4-amine
CID 63541977
N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
CID 60716471
N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
CID 60869079
4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile
CID 133352700
4-[1-(2-bromoanilino)ethyl]benzonitrile
CID 43194470
4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile
CID 43680303
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide
CID 133318102
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133321544
4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile
CID 54936470
2-[1-(4-cyanophenyl)ethylamino]-4-methoxybenzonitrile
CID 81300170

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile?
The IUPAC name of 4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile (CID 133310735) is 4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile?
The canonical SMILES for 4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile is CC(Nc1cc(C#N)nc2ccccc12)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile?
The InChIKey is RZYBGFYSKRWPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4/c1-13(15-8-6-14(11-20)7-9-15)22-19-10-16(12-21)23-18-5-3-2-4-17(18)19/h2-10,13H,1H3,(H,22,23).
What are the key properties of 4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile?
4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile is sourced from PubChem (CID 133310735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).