(7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate

C18H15NO4 — CID 2552705

IUPAC(7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate
SMILESCc1ccc2c(COC(=O)c3ccccn3)cc(=O)oc2c1C
InChIInChI=1S/C18H15NO4/c1-11-6-7-14-13(9-16(20)23-17(14)12(11)2)10-22-18(21)15-5-3-4-8-19-15/h3-9H,10H2,1-2H3
InChIKeyAUCMZOFBDNJNPD-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.16
Rot. Bonds3

About (7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate

(7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate (PubChem CID 2552705) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate.

Molecular Properties

Compound Name(7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate
PubChem CID2552705
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate
SMILESCc1ccc2c(COC(=O)c3ccccn3)cc(=O)oc2c1C
InChIInChI=1S/C18H15NO4/c1-11-6-7-14-13(9-16(20)23-17(14)12(11)2)10-22-18(21)15-5-3-4-8-19-15/h3-9H,10H2,1-2H3
InChIKeyAUCMZOFBDNJNPD-UHFFFAOYSA-N
XLogP3.16
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(7,8-dimethyl-2-oxochromen-4-yl)methyl 3-methyl-2-phenylquinoline-4-carboxylate
CID 4644639
(7,8-dimethyl-2-oxochromen-4-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 4027476
(7,8-dimethyl-2-oxochromen-4-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3620869
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4666775
7,8-dimethyl-4-(phenoxymethyl)chromen-2-one
CID 7818186
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-oxo-1H-quinoline-2-carboxylate
CID 7504456
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-methylsulfonylbenzoate
CID 7744728
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-cyanobenzoate
CID 4017961
(7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(trifluoromethyl)benzoate
CID 4653160
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-methyl-5-methylsulfonylbenzoate
CID 7849531
4-O-[(7,8-dimethyl-2-oxochromen-4-yl)methyl] 1-O-ethyl but-2-enedioate
CID 4238078
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(diethylamino)benzoate
CID 3880003

Frequently Asked Questions

What is the IUPAC name of (7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate?
The IUPAC name of (7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate (CID 2552705) is (7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate.
What is the SMILES notation for (7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate?
The canonical SMILES for (7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate is Cc1ccc2c(COC(=O)c3ccccn3)cc(=O)oc2c1C.
What is the InChIKey of (7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate?
The InChIKey is AUCMZOFBDNJNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-11-6-7-14-13(9-16(20)23-17(14)12(11)2)10-22-18(21)15-5-3-4-8-19-15/h3-9H,10H2,1-2H3.
What are the key properties of (7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate?
(7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate is sourced from PubChem (CID 2552705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).