ethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate

C18H18N2O5 — CID 20561040

IUPACethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2oc3ccc(C(C)C)cc3c(=O)c2nc1NO
InChIInChI=1S/C18H18N2O5/c1-4-24-18(22)12-8-14-15(19-17(12)20-23)16(21)11-7-10(9(2)3)5-6-13(11)25-14/h5-9,23H,4H2,1-3H3,(H,19,20)
InChIKeyZNMWMIWWHHLTLS-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.44
Rot. Bonds4

About ethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate

ethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate (PubChem CID 20561040) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is ethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate
PubChem CID20561040
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Nameethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2oc3ccc(C(C)C)cc3c(=O)c2nc1NO
InChIInChI=1S/C18H18N2O5/c1-4-24-18(22)12-8-14-15(19-17(12)20-23)16(21)11-7-10(9(2)3)5-6-13(11)25-14/h5-9,23H,4H2,1-3H3,(H,19,20)
InChIKeyZNMWMIWWHHLTLS-UHFFFAOYSA-N
XLogP3.44
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate (CID 20561040) is ethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate is CCOC(=O)c1cc2oc3ccc(C(C)C)cc3c(=O)c2nc1NO.
What is the InChIKey of ethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate?
The InChIKey is ZNMWMIWWHHLTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-4-24-18(22)12-8-14-15(19-17(12)20-23)16(21)11-7-10(9(2)3)5-6-13(11)25-14/h5-9,23H,4H2,1-3H3,(H,19,20).
What are the key properties of ethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate?
ethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate has a molecular weight of 342.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 20561040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).