(E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide

C24H27N3O — CID 15987803

IUPAC(E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccc(C)cc3)ccc2n1
InChIInChI=1S/C24H27N3O/c1-5-27(6-2)23-15-18(4)21-16-20(12-13-22(21)26-23)25-24(28)14-11-19-9-7-17(3)8-10-19/h7-16H,5-6H2,1-4H3,(H,25,28)/b14-11+
InChIKeyZZZDIGDZDOCTHG-SDNWHVSQSA-N
MW373.50 g/mol
LogP5.35
Rot. Bonds6

About (E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide

(E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 15987803) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID15987803
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccc(C)cc3)ccc2n1
InChIInChI=1S/C24H27N3O/c1-5-27(6-2)23-15-18(4)21-16-20(12-13-22(21)26-23)25-24(28)14-11-19-9-7-17(3)8-10-19/h7-16H,5-6H2,1-4H3,(H,25,28)/b14-11+
InChIKeyZZZDIGDZDOCTHG-SDNWHVSQSA-N
XLogP5.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_A(3)', '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-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide (CID 15987803) is (E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide is CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccc(C)cc3)ccc2n1.
What is the InChIKey of (E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is ZZZDIGDZDOCTHG-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H27N3O/c1-5-27(6-2)23-15-18(4)21-16-20(12-13-22(21)26-23)25-24(28)14-11-19-9-7-17(3)8-10-19/h7-16H,5-6H2,1-4H3,(H,25,28)/b14-11+.
What are the key properties of (E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 373.50 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 15987803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).