(7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate

C20H14N2O5 — CID 7676822

IUPAC(7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate
SMILESCOc1ccc2c(COC(=O)c3ccc4nccnc4c3)cc(=O)oc2c1
InChIInChI=1S/C20H14N2O5/c1-25-14-3-4-15-13(9-19(23)27-18(15)10-14)11-26-20(24)12-2-5-16-17(8-12)22-7-6-21-16/h2-10H,11H2,1H3
InChIKeySMKZXZJQJGGQDM-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.10
Rot. Bonds4

About (7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate

(7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate (PubChem CID 7676822) has the molecular formula C20H14N2O5 and a molecular weight of 362.34 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate
PubChem CID7676822
Molecular FormulaC20H14N2O5
Molecular Weight362.34 g/mol
Exact Mass362.09
IUPAC Name(7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate
SMILESCOc1ccc2c(COC(=O)c3ccc4nccnc4c3)cc(=O)oc2c1
InChIInChI=1S/C20H14N2O5/c1-25-14-3-4-15-13(9-19(23)27-18(15)10-14)11-26-20(24)12-2-5-16-17(8-12)22-7-6-21-16/h2-10H,11H2,1H3
InChIKeySMKZXZJQJGGQDM-UHFFFAOYSA-N
XLogP3.10
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
(7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7811334
(7-methoxy-2-oxochromen-4-yl)methyl 3-aminopyrazine-2-carboxylate
CID 7469232
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
(7-methoxy-2-oxochromen-4-yl)methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33070032
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 5197110
(7-methoxy-2-oxochromen-4-yl)methyl 2,4-dimethylbenzoate
CID 7796060
(7-methoxy-2-oxochromen-4-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 4802061
(7-methoxy-2-oxochromen-4-yl)methyl 4-[2-(methanesulfonamido)ethyl]benzoate
CID 27614104
(7-methoxy-2-oxochromen-4-yl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654387
(7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate
CID 7828090
(7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 4027480

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate (CID 7676822) is (7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate is COc1ccc2c(COC(=O)c3ccc4nccnc4c3)cc(=O)oc2c1.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate?
The InChIKey is SMKZXZJQJGGQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O5/c1-25-14-3-4-15-13(9-19(23)27-18(15)10-14)11-26-20(24)12-2-5-16-17(8-12)22-7-6-21-16/h2-10H,11H2,1H3.
What are the key properties of (7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate?
(7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate has a molecular weight of 362.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate is sourced from PubChem (CID 7676822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).