(7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate

C21H20N2O5 — CID 27045422

IUPAC(7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate
SMILESCc1ccc2c(COC(=O)c3cccnc3N3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C21H20N2O5/c1-14-4-5-16-15(12-19(24)28-18(16)11-14)13-27-21(25)17-3-2-6-22-20(17)23-7-9-26-10-8-23/h2-6,11-12H,7-10,13H2,1H3
InChIKeyHIYNVUPLGSPOKT-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.69
Rot. Bonds4

About (7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate

(7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 27045422) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate
PubChem CID27045422
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name(7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate
SMILESCc1ccc2c(COC(=O)c3cccnc3N3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C21H20N2O5/c1-14-4-5-16-15(12-19(24)28-18(16)11-14)13-27-21(25)17-3-2-6-22-20(17)23-7-9-26-10-8-23/h2-6,11-12H,7-10,13H2,1H3
InChIKeyHIYNVUPLGSPOKT-UHFFFAOYSA-N
XLogP2.69
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.69
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-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2630298
(7-methyl-2-oxochromen-4-yl)methyl 2,5-dimethylbenzoate
CID 2629840
(7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate
CID 2548027
(7-methyl-2-oxochromen-4-yl)methyl 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998472
(7-methyl-2-oxochromen-4-yl)methyl 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]benzoate
CID 4690964
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4236785
(7-methyl-2-oxochromen-4-yl)methyl 3-methyl-2-nitrobenzoate
CID 3692871
(7-methyl-2-oxochromen-4-yl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235435
(7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 4027480
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045332
(7-methyl-2-oxochromen-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2402062
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 5197110

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate (CID 27045422) is (7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for (7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for (7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate is Cc1ccc2c(COC(=O)c3cccnc3N3CCOCC3)cc(=O)oc2c1.
What is the InChIKey of (7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is HIYNVUPLGSPOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-14-4-5-16-15(12-19(24)28-18(16)11-14)13-27-21(25)17-3-2-6-22-20(17)23-7-9-26-10-8-23/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of (7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate?
(7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 27045422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).