(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide

C19H23N3O2 — CID 18152783

IUPAC(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide
SMILESCCN(CC(=O)NC(C)C)C(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C19H23N3O2/c1-4-22(13-17(23)21-14(2)3)18(24)11-10-16-8-5-7-15-9-6-12-20-19(15)16/h5-12,14H,4,13H2,1-3H3,(H,21,23)/b11-10+
InChIKeyAPRSWBYBIJUPKZ-ZHACJKMWSA-N
MW325.41 g/mol
LogP2.62
Rot. Bonds6

About (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide

(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 18152783) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID18152783
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide
SMILESCCN(CC(=O)NC(C)C)C(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C19H23N3O2/c1-4-22(13-17(23)21-14(2)3)18(24)11-10-16-8-5-7-15-9-6-12-20-19(15)16/h5-12,14H,4,13H2,1-3H3,(H,21,23)/b11-10+
InChIKeyAPRSWBYBIJUPKZ-ZHACJKMWSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.62
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

(E)-3-(2-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 51157054
(E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide
CID 134061052
(E)-N-ethyl-3-(furan-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 18155626
(E)-3-(4-aminophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 115343201
(E)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-quinolin-8-ylprop-2-enamide
CID 51333791
methyl (2S,3S)-3-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]pentanoate
CID 47084216
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 55521835
N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003
(E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 24623993
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 51172762
(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 51335179
N-benzhydryl-3-quinolin-8-ylprop-2-enamide
CID 55503823

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide (CID 18152783) is (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide is CCN(CC(=O)NC(C)C)C(=O)/C=C/c1cccc2cccnc12.
What is the InChIKey of (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is APRSWBYBIJUPKZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-22(13-17(23)21-14(2)3)18(24)11-10-16-8-5-7-15-9-6-12-20-19(15)16/h5-12,14H,4,13H2,1-3H3,(H,21,23)/b11-10+.
What are the key properties of (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide?
(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 18152783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).