(E)-N-butyl-3-quinolin-2-ylprop-2-enamide

C16H18N2O — CID 30282284

IUPAC(E)-N-butyl-3-quinolin-2-ylprop-2-enamide
SMILESCCCCNC(=O)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C16H18N2O/c1-2-3-12-17-16(19)11-10-14-9-8-13-6-4-5-7-15(13)18-14/h4-11H,2-3,12H2,1H3,(H,17,19)/b11-10+
InChIKeyXXBXDNGWYHIYJB-ZHACJKMWSA-N
MW254.33 g/mol
LogP3.16
Rot. Bonds5

About (E)-N-butyl-3-quinolin-2-ylprop-2-enamide

(E)-N-butyl-3-quinolin-2-ylprop-2-enamide (PubChem CID 30282284) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (E)-N-butyl-3-quinolin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-butyl-3-quinolin-2-ylprop-2-enamide
PubChem CID30282284
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(E)-N-butyl-3-quinolin-2-ylprop-2-enamide
SMILESCCCCNC(=O)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C16H18N2O/c1-2-3-12-17-16(19)11-10-14-9-8-13-6-4-5-7-15(13)18-14/h4-11H,2-3,12H2,1H3,(H,17,19)/b11-10+
InChIKeyXXBXDNGWYHIYJB-ZHACJKMWSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-3-quinolin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-butyl-3-quinolin-2-ylprop-2-enamide (CID 30282284) is (E)-N-butyl-3-quinolin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-butyl-3-quinolin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-butyl-3-quinolin-2-ylprop-2-enamide is CCCCNC(=O)/C=C/c1ccc2ccccc2n1.
What is the InChIKey of (E)-N-butyl-3-quinolin-2-ylprop-2-enamide?
The InChIKey is XXBXDNGWYHIYJB-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-3-12-17-16(19)11-10-14-9-8-13-6-4-5-7-15(13)18-14/h4-11H,2-3,12H2,1H3,(H,17,19)/b11-10+.
What are the key properties of (E)-N-butyl-3-quinolin-2-ylprop-2-enamide?
(E)-N-butyl-3-quinolin-2-ylprop-2-enamide has a molecular weight of 254.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-3-quinolin-2-ylprop-2-enamide is sourced from PubChem (CID 30282284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).