3-(quinolin-4-ylmethylamino)pentanenitrile

C15H17N3 — CID 55251720

IUPAC3-(quinolin-4-ylmethylamino)pentanenitrile
SMILESCCC(CC#N)NCc1ccnc2ccccc12
InChIInChI=1S/C15H17N3/c1-2-13(7-9-16)18-11-12-8-10-17-15-6-4-3-5-14(12)15/h3-6,8,10,13,18H,2,7,11H2,1H3
InChIKeyNSSWLJJSDIWZGO-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.02
Rot. Bonds5

About 3-(quinolin-4-ylmethylamino)pentanenitrile

3-(quinolin-4-ylmethylamino)pentanenitrile (PubChem CID 55251720) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(quinolin-4-ylmethylamino)pentanenitrile.

Molecular Properties

Compound Name3-(quinolin-4-ylmethylamino)pentanenitrile
PubChem CID55251720
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-(quinolin-4-ylmethylamino)pentanenitrile
SMILESCCC(CC#N)NCc1ccnc2ccccc12
InChIInChI=1S/C15H17N3/c1-2-13(7-9-16)18-11-12-8-10-17-15-6-4-3-5-14(12)15/h3-6,8,10,13,18H,2,7,11H2,1H3
InChIKeyNSSWLJJSDIWZGO-UHFFFAOYSA-N
XLogP3.02
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-4-ylmethylamino)pentanenitrile?
The IUPAC name of 3-(quinolin-4-ylmethylamino)pentanenitrile (CID 55251720) is 3-(quinolin-4-ylmethylamino)pentanenitrile.
What is the SMILES notation for 3-(quinolin-4-ylmethylamino)pentanenitrile?
The canonical SMILES for 3-(quinolin-4-ylmethylamino)pentanenitrile is CCC(CC#N)NCc1ccnc2ccccc12.
What is the InChIKey of 3-(quinolin-4-ylmethylamino)pentanenitrile?
The InChIKey is NSSWLJJSDIWZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-13(7-9-16)18-11-12-8-10-17-15-6-4-3-5-14(12)15/h3-6,8,10,13,18H,2,7,11H2,1H3.
What are the key properties of 3-(quinolin-4-ylmethylamino)pentanenitrile?
3-(quinolin-4-ylmethylamino)pentanenitrile has a molecular weight of 239.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-4-ylmethylamino)pentanenitrile is sourced from PubChem (CID 55251720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).