(E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide

C19H18N2O2S — CID 110413421

IUPAC(E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESC/C(=C\c1cccs1)C(=O)NCc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C19H18N2O2S/c1-12-5-6-17-14(8-12)10-15(19(23)21-17)11-20-18(22)13(2)9-16-4-3-7-24-16/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)/b13-9+
InChIKeyZDVRIEQWAXIUOD-UKTHLTGXSA-N
MW338.43 g/mol
LogP3.62
Rot. Bonds4

About (E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide

(E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 110413421) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is (E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID110413421
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name(E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESC/C(=C\c1cccs1)C(=O)NCc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C19H18N2O2S/c1-12-5-6-17-14(8-12)10-15(19(23)21-17)11-20-18(22)13(2)9-16-4-3-7-24-16/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)/b13-9+
InChIKeyZDVRIEQWAXIUOD-UKTHLTGXSA-N
XLogP3.62
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
CID 110414626
3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324668
6,8-dimethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110616698
1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110662673
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide
CID 110414901
(E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
CID 110616795
3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318648
5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 110619595
3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110414954
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 860989
3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 110608906

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide (CID 110413421) is (E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide is C/C(=C\c1cccs1)C(=O)NCc1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of (E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is ZDVRIEQWAXIUOD-UKTHLTGXSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-12-5-6-17-14(8-12)10-15(19(23)21-17)11-20-18(22)13(2)9-16-4-3-7-24-16/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)/b13-9+.
What are the key properties of (E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 338.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 110413421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).