ethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate

C20H20N2O5 — CID 20561035

IUPACethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate
SMILESC=CCONc1nc2c(=O)c3cc(CC)ccc3oc2cc1C(=O)OCC
InChIInChI=1S/C20H20N2O5/c1-4-9-26-22-19-14(20(24)25-6-3)11-16-17(21-19)18(23)13-10-12(5-2)7-8-15(13)27-16/h4,7-8,10-11H,1,5-6,9H2,2-3H3,(H,21,22)
InChIKeyZKCPRDDOLSBXGD-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.61
Rot. Bonds7

About ethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate

ethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate (PubChem CID 20561035) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate
PubChem CID20561035
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Nameethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate
SMILESC=CCONc1nc2c(=O)c3cc(CC)ccc3oc2cc1C(=O)OCC
InChIInChI=1S/C20H20N2O5/c1-4-9-26-22-19-14(20(24)25-6-3)11-16-17(21-19)18(23)13-10-12(5-2)7-8-15(13)27-16/h4,7-8,10-11H,1,5-6,9H2,2-3H3,(H,21,22)
InChIKeyZKCPRDDOLSBXGD-UHFFFAOYSA-N
XLogP3.61
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate (CID 20561035) is ethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate is C=CCONc1nc2c(=O)c3cc(CC)ccc3oc2cc1C(=O)OCC.
What is the InChIKey of ethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate?
The InChIKey is ZKCPRDDOLSBXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-4-9-26-22-19-14(20(24)25-6-3)11-16-17(21-19)18(23)13-10-12(5-2)7-8-15(13)27-16/h4,7-8,10-11H,1,5-6,9H2,2-3H3,(H,21,22).
What are the key properties of ethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate?
ethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-ethyl-10-oxo-2-(prop-2-enoxyamino)chromeno[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 20561035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).