2-amino-4-quinolin-5-yloxybutanenitrile

C13H13N3O — CID 103045532

IUPAC2-amino-4-quinolin-5-yloxybutanenitrile
SMILESN#CC(N)CCOc1cccc2ncccc12
InChIInChI=1S/C13H13N3O/c14-9-10(15)6-8-17-13-5-1-4-12-11(13)3-2-7-16-12/h1-5,7,10H,6,8,15H2
InChIKeyNUHXDIFMVYXKOA-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-4-quinolin-5-yloxybutanenitrile

2-amino-4-quinolin-5-yloxybutanenitrile (PubChem CID 103045532) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-amino-4-quinolin-5-yloxybutanenitrile.

Molecular Properties

Compound Name2-amino-4-quinolin-5-yloxybutanenitrile
PubChem CID103045532
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-amino-4-quinolin-5-yloxybutanenitrile
SMILESN#CC(N)CCOc1cccc2ncccc12
InChIInChI=1S/C13H13N3O/c14-9-10(15)6-8-17-13-5-1-4-12-11(13)3-2-7-16-12/h1-5,7,10H,6,8,15H2
InChIKeyNUHXDIFMVYXKOA-UHFFFAOYSA-N
XLogP1.85
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-3-methylpentoxy)quinoline
CID 103044594
4-(2-quinolin-5-yloxyethoxy)aniline
CID 103044211
5-(9-bromononoxy)quinoline
CID 103044601
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109
3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
CID 103045848
2-amino-4-(2,6-dichlorophenoxy)butanenitrile
CID 82023057
1-cyclopropyl-2-quinolin-5-yloxyethanamine
CID 103044483
2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile
CID 103045530
2-(propylamino)-4-quinolin-5-yloxybutanamide
CID 103045604
O-quinolin-5-ylhydroxylamine;hydrochloride
CID 162421843
N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-quinolin-5-yloxybutanenitrile?
The IUPAC name of 2-amino-4-quinolin-5-yloxybutanenitrile (CID 103045532) is 2-amino-4-quinolin-5-yloxybutanenitrile.
What is the SMILES notation for 2-amino-4-quinolin-5-yloxybutanenitrile?
The canonical SMILES for 2-amino-4-quinolin-5-yloxybutanenitrile is N#CC(N)CCOc1cccc2ncccc12.
What is the InChIKey of 2-amino-4-quinolin-5-yloxybutanenitrile?
The InChIKey is NUHXDIFMVYXKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-9-10(15)6-8-17-13-5-1-4-12-11(13)3-2-7-16-12/h1-5,7,10H,6,8,15H2.
What are the key properties of 2-amino-4-quinolin-5-yloxybutanenitrile?
2-amino-4-quinolin-5-yloxybutanenitrile has a molecular weight of 227.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-quinolin-5-yloxybutanenitrile is sourced from PubChem (CID 103045532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).