(E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide

C18H18N2O2 — CID 78792612

IUPAC(E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide
SMILESC#CCNC(=O)/C=C/c1cc2ccccc2nc1OCCC
InChIInChI=1S/C18H18N2O2/c1-3-11-19-17(21)10-9-15-13-14-7-5-6-8-16(14)20-18(15)22-12-4-2/h1,5-10,13H,4,11-12H2,2H3,(H,19,21)/b10-9+
InChIKeyOKSWVIPAJCBLBW-MDZDMXLPSA-N
MW294.35 g/mol
LogP2.79
Rot. Bonds6

About (E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide

(E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide (PubChem CID 78792612) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide
PubChem CID78792612
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide
SMILESC#CCNC(=O)/C=C/c1cc2ccccc2nc1OCCC
InChIInChI=1S/C18H18N2O2/c1-3-11-19-17(21)10-9-15-13-14-7-5-6-8-16(14)20-18(15)22-12-4-2/h1,5-10,13H,4,11-12H2,2H3,(H,19,21)/b10-9+
InChIKeyOKSWVIPAJCBLBW-MDZDMXLPSA-N
XLogP2.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide
CID 78773841
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
3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide
CID 131848081
(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide
CID 39736966
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoate
CID 7042099
3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 171935667
1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one
CID 91941705
4-[[(E)-3-(2-propoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 53264049
N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
CID 4089044
(E)-N-butyl-3-quinolin-2-ylprop-2-enamide
CID 30282284

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide?
The IUPAC name of (E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide (CID 78792612) is (E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide?
The canonical SMILES for (E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide is C#CCNC(=O)/C=C/c1cc2ccccc2nc1OCCC.
What is the InChIKey of (E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide?
The InChIKey is OKSWVIPAJCBLBW-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-11-19-17(21)10-9-15-13-14-7-5-6-8-16(14)20-18(15)22-12-4-2/h1,5-10,13H,4,11-12H2,2H3,(H,19,21)/b10-9+.
What are the key properties of (E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide?
(E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide has a molecular weight of 294.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide is sourced from PubChem (CID 78792612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).