(4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate

C19H13N3O6 — CID 23993990

IUPAC(4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate
SMILESCOc1cccc2cc(C(=O)OCn3nnc4ccccc4c3=O)c(=O)oc12
InChIInChI=1S/C19H13N3O6/c1-26-15-8-4-5-11-9-13(19(25)28-16(11)15)18(24)27-10-22-17(23)12-6-2-3-7-14(12)20-21-22/h2-9H,10H2,1H3
InChIKeyRTGHBLUZZOUQFC-UHFFFAOYSA-N
MW379.33 g/mol
LogP1.72
Rot. Bonds4

About (4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate (PubChem CID 23993990) has the molecular formula C19H13N3O6 and a molecular weight of 379.33 g/mol. Its IUPAC name is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate
PubChem CID23993990
Molecular FormulaC19H13N3O6
Molecular Weight379.33 g/mol
Exact Mass379.08
IUPAC Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate
SMILESCOc1cccc2cc(C(=O)OCn3nnc4ccccc4c3=O)c(=O)oc12
InChIInChI=1S/C19H13N3O6/c1-26-15-8-4-5-11-9-13(19(25)28-16(11)15)18(24)27-10-22-17(23)12-6-2-3-7-14(12)20-21-22/h2-9H,10H2,1H3
InChIKeyRTGHBLUZZOUQFC-UHFFFAOYSA-N
XLogP1.72
TPSA113.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 2559101
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methylbenzoate
CID 694208
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-chloroquinoline-4-carboxylate
CID 9009940
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2367823
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 25036956
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylbenzoate
CID 7554658
[2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 23964198
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827724
(4-oxo-1,2,3-benzotriazin-3-yl)methyl propanoate
CID 4524672
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-dibromo-2-hydroxybenzoate
CID 2344436
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
CID 3662237

Frequently Asked Questions

What is the IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate?
The IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate (CID 23993990) is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate.
What is the SMILES notation for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate?
The canonical SMILES for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate is COc1cccc2cc(C(=O)OCn3nnc4ccccc4c3=O)c(=O)oc12.
What is the InChIKey of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate?
The InChIKey is RTGHBLUZZOUQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O6/c1-26-15-8-4-5-11-9-13(19(25)28-16(11)15)18(24)27-10-22-17(23)12-6-2-3-7-14(12)20-21-22/h2-9H,10H2,1H3.
What are the key properties of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate?
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate has a molecular weight of 379.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate is sourced from PubChem (CID 23993990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).