(E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide

C16H16N2O4 — CID 59397879

IUPAC(E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cc(=O)n(CC=O)c2cc(OC)ccc12
InChIInChI=1S/C16H16N2O4/c1-17-15(20)6-3-11-9-16(21)18(7-8-19)14-10-12(22-2)4-5-13(11)14/h3-6,8-10H,7H2,1-2H3,(H,17,20)/b6-3+
InChIKeyMQFHYEDVVGXCFO-ZZXKWVIFSA-N
MW300.31 g/mol
LogP0.97
Rot. Bonds5

About (E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide

(E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide (PubChem CID 59397879) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide
PubChem CID59397879
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cc(=O)n(CC=O)c2cc(OC)ccc12
InChIInChI=1S/C16H16N2O4/c1-17-15(20)6-3-11-9-16(21)18(7-8-19)14-10-12(22-2)4-5-13(11)14/h3-6,8-10H,7H2,1-2H3,(H,17,20)/b6-3+
InChIKeyMQFHYEDVVGXCFO-ZZXKWVIFSA-N
XLogP0.97
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde
CID 59397837
ethyl (E)-3-[7-methyl-2-oxo-1-(2-oxoethyl)quinolin-4-yl]prop-2-enoate
CID 88867113
1-(3,3-dimethyl-2-oxobutyl)-6-methoxy-2-methylindole-3-carbaldehyde
CID 142842718
2-[[1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-2-oxoquinolin-4-yl]methylidene]butanoic acid
CID 67539134
1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one
CID 59398402
methyl 3-formyl-6-methoxy-1-methylindole-2-carboxylate
CID 4777747
7-methoxy-1-[[(1S)-3-oxabicyclo[4.1.0]heptan-2-yl]methyl]-2-oxoquinoline-4-carbaldehyde
CID 88586886
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-3-(2,5-dimethoxyphenyl)-N-[2-(methylamino)-2-oxoethoxy]prop-2-enamide
CID 110495704
3-formyl-6-methoxy-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 50742419
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638

Frequently Asked Questions

What is the IUPAC name of (E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide (CID 59397879) is (E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide is CNC(=O)/C=C/c1cc(=O)n(CC=O)c2cc(OC)ccc12.
What is the InChIKey of (E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide?
The InChIKey is MQFHYEDVVGXCFO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-17-15(20)6-3-11-9-16(21)18(7-8-19)14-10-12(22-2)4-5-13(11)14/h3-6,8-10H,7H2,1-2H3,(H,17,20)/b6-3+.
What are the key properties of (E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide?
(E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide has a molecular weight of 300.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[7-methoxy-2-oxo-1-(2-oxoethyl)quinolin-4-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 59397879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).