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

C17H16N2O5 — CID 20561031

IUPAC2-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
SMILESCONc1nc2c(=O)c3cc(C(C)C)ccc3oc2cc1C(=O)O
InChIInChI=1S/C17H16N2O5/c1-8(2)9-4-5-12-10(6-9)15(20)14-13(24-12)7-11(17(21)22)16(18-14)19-23-3/h4-8H,1-3H3,(H,18,19)(H,21,22)
InChIKeyWRIHYQFQQOAVOH-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.14
Rot. Bonds4

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

2-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid (PubChem CID 20561031) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
PubChem CID20561031
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name2-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
SMILESCONc1nc2c(=O)c3cc(C(C)C)ccc3oc2cc1C(=O)O
InChIInChI=1S/C17H16N2O5/c1-8(2)9-4-5-12-10(6-9)15(20)14-13(24-12)7-11(17(21)22)16(18-14)19-23-3/h4-8H,1-3H3,(H,18,19)(H,21,22)
InChIKeyWRIHYQFQQOAVOH-UHFFFAOYSA-N
XLogP3.14
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.14
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-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid (CID 20561031) is 2-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid is CONc1nc2c(=O)c3cc(C(C)C)ccc3oc2cc1C(=O)O.
What is the InChIKey of 2-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is WRIHYQFQQOAVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-8(2)9-4-5-12-10(6-9)15(20)14-13(24-12)7-11(17(21)22)16(18-14)19-23-3/h4-8H,1-3H3,(H,18,19)(H,21,22).
What are the key properties of 2-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
2-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 328.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 20561031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).