(7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate

C19H14N2O5 — CID 2448629

IUPAC(7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate
SMILESCOc1ccc2c(COC(=O)c3n[nH]c4ccccc34)cc(=O)oc2c1
InChIInChI=1S/C19H14N2O5/c1-24-12-6-7-13-11(8-17(22)26-16(13)9-12)10-25-19(23)18-14-4-2-3-5-15(14)20-21-18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyQEBQHORXCHPIBE-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.03
Rot. Bonds4

About (7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate

(7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate (PubChem CID 2448629) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate
PubChem CID2448629
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name(7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate
SMILESCOc1ccc2c(COC(=O)c3n[nH]c4ccccc34)cc(=O)oc2c1
InChIInChI=1S/C19H14N2O5/c1-24-12-6-7-13-11(8-17(22)26-16(13)9-12)10-25-19(23)18-14-4-2-3-5-15(14)20-21-18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyQEBQHORXCHPIBE-UHFFFAOYSA-N
XLogP3.03
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate (CID 2448629) is (7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate is COc1ccc2c(COC(=O)c3n[nH]c4ccccc34)cc(=O)oc2c1.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate?
The InChIKey is QEBQHORXCHPIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c1-24-12-6-7-13-11(8-17(22)26-16(13)9-12)10-25-19(23)18-14-4-2-3-5-15(14)20-21-18/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of (7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate?
(7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate has a molecular weight of 350.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 2448629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).