8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one

C16H17NO5 — CID 1247427

IUPAC8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one
SMILESCCOc1cccc2cc(C(=O)N3CCOCC3)c(=O)oc12
InChIInChI=1S/C16H17NO5/c1-2-21-13-5-3-4-11-10-12(16(19)22-14(11)13)15(18)17-6-8-20-9-7-17/h3-5,10H,2,6-9H2,1H3
InChIKeyMJUXMZMIVQQNEK-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.66
Rot. Bonds3

About 8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one

8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one (PubChem CID 1247427) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one.

Molecular Properties

Compound Name8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one
PubChem CID1247427
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one
SMILESCCOc1cccc2cc(C(=O)N3CCOCC3)c(=O)oc12
InChIInChI=1S/C16H17NO5/c1-2-21-13-5-3-4-11-10-12(16(19)22-14(11)13)15(18)17-6-8-20-9-7-17/h3-5,10H,2,6-9H2,1H3
InChIKeyMJUXMZMIVQQNEK-UHFFFAOYSA-N
XLogP1.66
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Morpholinylcarbonyl)-2H-1-benzopyran-2-one
CID 28914
8-methoxy-2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 712647
(E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 966574
Coumarin, 3-(piperidinocarbonyl)-
CID 28913
8-Allyl-3-(morpholine-4-carbonyl)-chromen-2-one
CID 1108244
ethyl 1-(2-oxo-2H-chromene-3-carbonyl)piperidine-4-carboxylate
CID 1505053
8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 2146230
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 4248118
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 4421749
(2E)-3-(3,4-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 5737662
ethyl 1-[2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
CID 6068686
(E)-3-(2,3-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 6211927

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one?
The IUPAC name of 8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one (CID 1247427) is 8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one.
What is the SMILES notation for 8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one?
The canonical SMILES for 8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one is CCOc1cccc2cc(C(=O)N3CCOCC3)c(=O)oc12.
What is the InChIKey of 8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one?
The InChIKey is MJUXMZMIVQQNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-2-21-13-5-3-4-11-10-12(16(19)22-14(11)13)15(18)17-6-8-20-9-7-17/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one?
8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one has a molecular weight of 303.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-(morpholine-4-carbonyl)chromen-2-one is sourced from PubChem (CID 1247427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).