3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one

C14H15NO3 — CID 89426524

IUPAC3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one
SMILESC=C(OCC)c1c[nH]c2ccc(OC)cc2c1=O
InChIInChI=1S/C14H15NO3/c1-4-18-9(2)12-8-15-13-6-5-10(17-3)7-11(13)14(12)16/h5-8H,2,4H2,1,3H3,(H,15,16)
InChIKeyALLWTNBPSHZQLH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.54
Rot. Bonds4

About 3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one

3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one (PubChem CID 89426524) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one
PubChem CID89426524
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one
SMILESC=C(OCC)c1c[nH]c2ccc(OC)cc2c1=O
InChIInChI=1S/C14H15NO3/c1-4-18-9(2)12-8-15-13-6-5-10(17-3)7-11(13)14(12)16/h5-8H,2,4H2,1,3H3,(H,15,16)
InChIKeyALLWTNBPSHZQLH-UHFFFAOYSA-N
XLogP2.54
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one
CID 4609629
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 42585812
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one?
The IUPAC name of 3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one (CID 89426524) is 3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one?
The canonical SMILES for 3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one is C=C(OCC)c1c[nH]c2ccc(OC)cc2c1=O.
What is the InChIKey of 3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one?
The InChIKey is ALLWTNBPSHZQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-4-18-9(2)12-8-15-13-6-5-10(17-3)7-11(13)14(12)16/h5-8H,2,4H2,1,3H3,(H,15,16).
What are the key properties of 3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one?
3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one has a molecular weight of 245.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 89426524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).