(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide

C16H18N2O — CID 110486560

IUPAC(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C16H18N2O/c1-3-18(4-2)16(19)12-11-14-10-9-13-7-5-6-8-15(13)17-14/h5-12H,3-4H2,1-2H3/b12-11+
InChIKeyCTOIOOLHNUFEFW-VAWYXSNFSA-N
MW254.33 g/mol
LogP3.12
Rot. Bonds4

About (E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide

(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide (PubChem CID 110486560) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide
PubChem CID110486560
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C16H18N2O/c1-3-18(4-2)16(19)12-11-14-10-9-13-7-5-6-8-15(13)17-14/h5-12H,3-4H2,1-2H3/b12-11+
InChIKeyCTOIOOLHNUFEFW-VAWYXSNFSA-N
XLogP3.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide (CID 110486560) is (E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide is CCN(CC)C(=O)/C=C/c1ccc2ccccc2n1.
What is the InChIKey of (E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide?
The InChIKey is CTOIOOLHNUFEFW-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-18(4-2)16(19)12-11-14-10-9-13-7-5-6-8-15(13)17-14/h5-12H,3-4H2,1-2H3/b12-11+.
What are the key properties of (E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide?
(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide has a molecular weight of 254.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide is sourced from PubChem (CID 110486560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).