(E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide

C15H17N3O — CID 110486554

IUPAC(E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide
SMILESNCCCNC(=O)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C15H17N3O/c16-10-3-11-17-15(19)9-8-13-7-6-12-4-1-2-5-14(12)18-13/h1-2,4-9H,3,10-11,16H2,(H,17,19)/b9-8+
InChIKeyILZOTEZVEIHPCH-CMDGGOBGSA-N
MW255.32 g/mol
LogP1.71
Rot. Bonds5

About (E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide

(E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide (PubChem CID 110486554) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide
PubChem CID110486554
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide
SMILESNCCCNC(=O)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C15H17N3O/c16-10-3-11-17-15(19)9-8-13-7-6-12-4-1-2-5-14(12)18-13/h1-2,4-9H,3,10-11,16H2,(H,17,19)/b9-8+
InChIKeyILZOTEZVEIHPCH-CMDGGOBGSA-N
XLogP1.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-butyl-3-quinolin-2-ylprop-2-enamide
CID 30282284
(E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide
CID 17391018
(E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide
CID 175434941
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
4-methyl-3-[[(E)-3-quinolin-2-ylprop-2-enoyl]amino]pentanoic acid
CID 139018264
(4-oxo-4-phenylbutyl) (E)-3-quinolin-2-ylprop-2-enoate
CID 29315549
(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
CID 33075877
(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide
CID 110486560
(E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide
CID 25337159
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
(E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide
CID 110490441
(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide
CID 115343655

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide (CID 110486554) is (E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide is NCCCNC(=O)/C=C/c1ccc2ccccc2n1.
What is the InChIKey of (E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide?
The InChIKey is ILZOTEZVEIHPCH-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H17N3O/c16-10-3-11-17-15(19)9-8-13-7-6-12-4-1-2-5-14(12)18-13/h1-2,4-9H,3,10-11,16H2,(H,17,19)/b9-8+.
What are the key properties of (E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide?
(E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide is sourced from PubChem (CID 110486554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).