(E)-4-quinolin-8-ylbut-3-en-1-amine

C13H14N2 — CID 63968021

IUPAC(E)-4-quinolin-8-ylbut-3-en-1-amine
SMILESNCC/C=C/c1cccc2cccnc12
InChIInChI=1S/C13H14N2/c14-9-2-1-5-11-6-3-7-12-8-4-10-15-13(11)12/h1,3-8,10H,2,9,14H2/b5-1+
InChIKeyNBLGOMIRQSCTID-ORCRQEGFSA-N
MW198.27 g/mol
LogP2.60
Rot. Bonds3

About (E)-4-quinolin-8-ylbut-3-en-1-amine

(E)-4-quinolin-8-ylbut-3-en-1-amine (PubChem CID 63968021) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (E)-4-quinolin-8-ylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-quinolin-8-ylbut-3-en-1-amine
PubChem CID63968021
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name(E)-4-quinolin-8-ylbut-3-en-1-amine
SMILESNCC/C=C/c1cccc2cccnc12
InChIInChI=1S/C13H14N2/c14-9-2-1-5-11-6-3-7-12-8-4-10-15-13(11)12/h1,3-8,10H,2,9,14H2/b5-1+
InChIKeyNBLGOMIRQSCTID-ORCRQEGFSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-4-quinolin-8-ylbut-3-en-1-amine 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

3-quinolin-8-ylprop-2-en-1-ol
CID 57237770
4-quinolin-8-ylbut-3-enal
CID 170482047
N-(4-quinolin-8-ylbut-3-enyl)acetamide
CID 170488863
3-quinolin-8-ylprop-2-enal
CID 73158990
4-(5-nitroquinolin-8-yl)but-3-en-1-amine
CID 170487848
benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate
CID 170494232
2-(4-aminobut-1-enyl)pyridin-3-amine
CID 170486446
8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 59801174
8-[2-[6-[2-[6-(2-quinolin-8-ylethenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 72565631
cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16607642
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
4-(2-fluoro-3-methylphenyl)but-3-en-1-amine
CID 170486516

Frequently Asked Questions

What is the IUPAC name of (E)-4-quinolin-8-ylbut-3-en-1-amine?
The IUPAC name of (E)-4-quinolin-8-ylbut-3-en-1-amine (CID 63968021) is (E)-4-quinolin-8-ylbut-3-en-1-amine.
What is the SMILES notation for (E)-4-quinolin-8-ylbut-3-en-1-amine?
The canonical SMILES for (E)-4-quinolin-8-ylbut-3-en-1-amine is NCC/C=C/c1cccc2cccnc12.
What is the InChIKey of (E)-4-quinolin-8-ylbut-3-en-1-amine?
The InChIKey is NBLGOMIRQSCTID-ORCRQEGFSA-N. The full InChI is InChI=1S/C13H14N2/c14-9-2-1-5-11-6-3-7-12-8-4-10-15-13(11)12/h1,3-8,10H,2,9,14H2/b5-1+.
What are the key properties of (E)-4-quinolin-8-ylbut-3-en-1-amine?
(E)-4-quinolin-8-ylbut-3-en-1-amine has a molecular weight of 198.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-quinolin-8-ylbut-3-en-1-amine is sourced from PubChem (CID 63968021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).