(E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine

C15H17ClN2 — CID 103092215

IUPAC(E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine
SMILESCNC(C)/C=C/c1cc2cccc(C)c2nc1Cl
InChIInChI=1S/C15H17ClN2/c1-10-5-4-6-12-9-13(8-7-11(2)17-3)15(16)18-14(10)12/h4-9,11,17H,1-3H3/b8-7+
InChIKeyNZWGHJZMIFNVTO-BQYQJAHWSA-N
MW260.77 g/mol
LogP3.82
Rot. Bonds3

About (E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine

(E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine (PubChem CID 103092215) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is (E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine
PubChem CID103092215
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name(E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine
SMILESCNC(C)/C=C/c1cc2cccc(C)c2nc1Cl
InChIInChI=1S/C15H17ClN2/c1-10-5-4-6-12-9-13(8-7-11(2)17-3)15(16)18-14(10)12/h4-9,11,17H,1-3H3/b8-7+
InChIKeyNZWGHJZMIFNVTO-BQYQJAHWSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine?
The IUPAC name of (E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine (CID 103092215) is (E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine is CNC(C)/C=C/c1cc2cccc(C)c2nc1Cl.
What is the InChIKey of (E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine?
The InChIKey is NZWGHJZMIFNVTO-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10-5-4-6-12-9-13(8-7-11(2)17-3)15(16)18-14(10)12/h4-9,11,17H,1-3H3/b8-7+.
What are the key properties of (E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine?
(E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine has a molecular weight of 260.77 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-chloro-8-methylquinolin-3-yl)-N-methylbut-3-en-2-amine is sourced from PubChem (CID 103092215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).