2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid

C18H18N2O5 — CID 20561042

IUPAC2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
SMILESCCONc1nc2c(=O)c3cc(C(C)C)ccc3oc2cc1C(=O)O
InChIInChI=1S/C18H18N2O5/c1-4-24-20-17-12(18(22)23)8-14-15(19-17)16(21)11-7-10(9(2)3)5-6-13(11)25-14/h5-9H,4H2,1-3H3,(H,19,20)(H,22,23)
InChIKeyVPDHXGJCMDULQB-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.53
Rot. Bonds5

About 2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid

2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid (PubChem CID 20561042) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
PubChem CID20561042
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
SMILESCCONc1nc2c(=O)c3cc(C(C)C)ccc3oc2cc1C(=O)O
InChIInChI=1S/C18H18N2O5/c1-4-24-20-17-12(18(22)23)8-14-15(19-17)16(21)11-7-10(9(2)3)5-6-13(11)25-14/h5-9H,4H2,1-3H3,(H,19,20)(H,22,23)
InChIKeyVPDHXGJCMDULQB-UHFFFAOYSA-N
XLogP3.53
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid (CID 20561042) is 2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid is CCONc1nc2c(=O)c3cc(C(C)C)ccc3oc2cc1C(=O)O.
What is the InChIKey of 2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is VPDHXGJCMDULQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-4-24-20-17-12(18(22)23)8-14-15(19-17)16(21)11-7-10(9(2)3)5-6-13(11)25-14/h5-9H,4H2,1-3H3,(H,19,20)(H,22,23).
What are the key properties of 2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 342.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 20561042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).