(E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide

C18H18N2O3 — CID 53125865

IUPAC(E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H18N2O3/c21-17(10-9-15-7-4-12-23-15)19-13-18(22)20-11-3-6-14-5-1-2-8-16(14)20/h1-2,4-5,7-10,12H,3,6,11,13H2,(H,19,21)/b10-9+
InChIKeyBFLVPZCLSUWNHM-MDZDMXLPSA-N
MW310.35 g/mol
LogP2.39
Rot. Bonds4

About (E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 53125865) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID53125865
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H18N2O3/c21-17(10-9-15-7-4-12-23-15)19-13-18(22)20-11-3-6-14-5-1-2-8-16(14)20/h1-2,4-5,7-10,12H,3,6,11,13H2,(H,19,21)/b10-9+
InChIKeyBFLVPZCLSUWNHM-MDZDMXLPSA-N
XLogP2.39
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide
CID 71843340
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51218620
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111167951
(E)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 134022327
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842857
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
CID 119747288
(E)-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-phenylprop-2-enamide
CID 905163
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide
CID 99217097
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
CID 119302463

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (CID 53125865) is (E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)NCC(=O)N1CCCc2ccccc21.
What is the InChIKey of (E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is BFLVPZCLSUWNHM-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(10-9-15-7-4-12-23-15)19-13-18(22)20-11-3-6-14-5-1-2-8-16(14)20/h1-2,4-5,7-10,12H,3,6,11,13H2,(H,19,21)/b10-9+.
What are the key properties of (E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 310.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 53125865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).