3-(N-quinolin-4-ylanilino)propanenitrile

C18H15N3 — CID 61341174

IUPAC3-(N-quinolin-4-ylanilino)propanenitrile
SMILESN#CCCN(c1ccccc1)c1ccnc2ccccc12
InChIInChI=1S/C18H15N3/c19-12-6-14-21(15-7-2-1-3-8-15)18-11-13-20-17-10-5-4-9-16(17)18/h1-5,7-11,13H,6,14H2
InChIKeyWOBZNULOYSQYSU-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.29
Rot. Bonds4

About 3-(N-quinolin-4-ylanilino)propanenitrile

3-(N-quinolin-4-ylanilino)propanenitrile (PubChem CID 61341174) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(N-quinolin-4-ylanilino)propanenitrile.

Molecular Properties

Compound Name3-(N-quinolin-4-ylanilino)propanenitrile
PubChem CID61341174
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name3-(N-quinolin-4-ylanilino)propanenitrile
SMILESN#CCCN(c1ccccc1)c1ccnc2ccccc12
InChIInChI=1S/C18H15N3/c19-12-6-14-21(15-7-2-1-3-8-15)18-11-13-20-17-10-5-4-9-16(17)18/h1-5,7-11,13H,6,14H2
InChIKeyWOBZNULOYSQYSU-UHFFFAOYSA-N
XLogP4.29
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tacrine
CID 1935
4-Nitroquinoline 1-Oxide
CID 5955
Quinoline
CID 7047
6-Methylquinoline
CID 7059
Acridine Orange Base
CID 62344
Dequalinium
CID 2993
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine
CID 7019
9-Aminoacridine hydrochloride
CID 8643
4-Methylquinoline
CID 10285
Benzo(F)Quinoline
CID 6796
8-Methylquinoline
CID 11910

Frequently Asked Questions

What is the IUPAC name of 3-(N-quinolin-4-ylanilino)propanenitrile?
The IUPAC name of 3-(N-quinolin-4-ylanilino)propanenitrile (CID 61341174) is 3-(N-quinolin-4-ylanilino)propanenitrile.
What is the SMILES notation for 3-(N-quinolin-4-ylanilino)propanenitrile?
The canonical SMILES for 3-(N-quinolin-4-ylanilino)propanenitrile is N#CCCN(c1ccccc1)c1ccnc2ccccc12.
What is the InChIKey of 3-(N-quinolin-4-ylanilino)propanenitrile?
The InChIKey is WOBZNULOYSQYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-12-6-14-21(15-7-2-1-3-8-15)18-11-13-20-17-10-5-4-9-16(17)18/h1-5,7-11,13H,6,14H2.
What are the key properties of 3-(N-quinolin-4-ylanilino)propanenitrile?
3-(N-quinolin-4-ylanilino)propanenitrile has a molecular weight of 273.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-quinolin-4-ylanilino)propanenitrile is sourced from PubChem (CID 61341174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).