N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide

C18H22N2O3 — CID 78773841

IUPACN-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide
SMILESCCCOc1nc2ccccc2cc1C=CC(=O)NCCOC
InChIInChI=1S/C18H22N2O3/c1-3-11-23-18-15(8-9-17(21)19-10-12-22-2)13-14-6-4-5-7-16(14)20-18/h4-9,13H,3,10-12H2,1-2H3,(H,19,21)
InChIKeyMGEHCNFXTYPNAH-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.80
Rot. Bonds8

About N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide

N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide (PubChem CID 78773841) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide
PubChem CID78773841
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide
SMILESCCCOc1nc2ccccc2cc1C=CC(=O)NCCOC
InChIInChI=1S/C18H22N2O3/c1-3-11-23-18-15(8-9-17(21)19-10-12-22-2)13-14-6-4-5-7-16(14)20-18/h4-9,13H,3,10-12H2,1-2H3,(H,19,21)
InChIKeyMGEHCNFXTYPNAH-UHFFFAOYSA-N
XLogP2.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide 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

(E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide
CID 78792612
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide
CID 71904142
1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one
CID 110883892
(E)-3-(2-propoxyquinolin-3-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 78826590
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoate
CID 7042099
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
(E)-3-(5-bromo-2-fluorophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 30281164
2,3-bis(2-methoxyethoxy)quinoline
CID 140540726
(E)-N-butyl-3-quinolin-2-ylprop-2-enamide
CID 30282284
(E)-3-(2,5-diaminophenyl)-N-(2-methoxyethyl)prop-2-enamide;hydrochloride
CID 23431736
4-[[(E)-3-(2-propoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 53264049
1-(2-methoxyethyl)-3-quinolin-3-ylurea
CID 175700628

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide?
The IUPAC name of N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide (CID 78773841) is N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide is CCCOc1nc2ccccc2cc1C=CC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide?
The InChIKey is MGEHCNFXTYPNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-11-23-18-15(8-9-17(21)19-10-12-22-2)13-14-6-4-5-7-16(14)20-18/h4-9,13H,3,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide?
N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide has a molecular weight of 314.39 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide is sourced from PubChem (CID 78773841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).