N-(4-quinolin-7-yloxybutyl)cyclopropanamine

C16H20N2O — CID 107314991

IUPACN-(4-quinolin-7-yloxybutyl)cyclopropanamine
SMILESc1cnc2cc(OCCCCNC3CC3)ccc2c1
InChIInChI=1S/C16H20N2O/c1(9-17-14-6-7-14)2-11-19-15-8-5-13-4-3-10-18-16(13)12-15/h3-5,8,10,12,14,17H,1-2,6-7,9,11H2
InChIKeyVGYMRJMZFIOEKY-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.15
Rot. Bonds7

About N-(4-quinolin-7-yloxybutyl)cyclopropanamine

N-(4-quinolin-7-yloxybutyl)cyclopropanamine (PubChem CID 107314991) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(4-quinolin-7-yloxybutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(4-quinolin-7-yloxybutyl)cyclopropanamine
PubChem CID107314991
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(4-quinolin-7-yloxybutyl)cyclopropanamine
SMILESc1cnc2cc(OCCCCNC3CC3)ccc2c1
InChIInChI=1S/C16H20N2O/c1(9-17-14-6-7-14)2-11-19-15-8-5-13-4-3-10-18-16(13)12-15/h3-5,8,10,12,14,17H,1-2,6-7,9,11H2
InChIKeyVGYMRJMZFIOEKY-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-quinolin-7-yloxybutyl)cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-quinolin-7-yloxyethyl)cyclohexanamine
CID 107315321
N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine
CID 107314998
N-(2-quinolin-7-ylethyl)cyclopropanamine
CID 81223999
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
3-quinolin-7-yloxypropane-1-thiol
CID 107315768
N-(3-quinolin-7-yloxypropyl)aniline
CID 107315213
N-propyl-3-quinolin-7-yloxycyclohexan-1-amine
CID 107313463
N-ethyl-2-quinolin-7-yloxyethanamine
CID 107313475
N-(quinolin-7-ylmethyl)cyclopropanamine
CID 78921001
7-(3-pyrrolidin-2-ylpropoxy)quinoline
CID 107313758
N-[(E)-4-quinolin-7-ylbut-3-enyl]cyclopropanamine
CID 81222001
N-[4-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454256

Frequently Asked Questions

What is the IUPAC name of N-(4-quinolin-7-yloxybutyl)cyclopropanamine?
The IUPAC name of N-(4-quinolin-7-yloxybutyl)cyclopropanamine (CID 107314991) is N-(4-quinolin-7-yloxybutyl)cyclopropanamine.
What is the SMILES notation for N-(4-quinolin-7-yloxybutyl)cyclopropanamine?
The canonical SMILES for N-(4-quinolin-7-yloxybutyl)cyclopropanamine is c1cnc2cc(OCCCCNC3CC3)ccc2c1.
What is the InChIKey of N-(4-quinolin-7-yloxybutyl)cyclopropanamine?
The InChIKey is VGYMRJMZFIOEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1(9-17-14-6-7-14)2-11-19-15-8-5-13-4-3-10-18-16(13)12-15/h3-5,8,10,12,14,17H,1-2,6-7,9,11H2.
What are the key properties of N-(4-quinolin-7-yloxybutyl)cyclopropanamine?
N-(4-quinolin-7-yloxybutyl)cyclopropanamine has a molecular weight of 256.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-quinolin-7-yloxybutyl)cyclopropanamine is sourced from PubChem (CID 107314991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).