ethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate

C18H19NO4 — CID 10638912

IUPACethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate
SMILESCCOC(=O)c1c(C)ncc2c1-c1ccc(OC)c(C)c1OC2
InChIInChI=1S/C18H19NO4/c1-5-22-18(20)15-11(3)19-8-12-9-23-17-10(2)14(21-4)7-6-13(17)16(12)15/h6-8H,5,9H2,1-4H3
InChIKeyCATJYSXVHMWRMX-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.44
Rot. Bonds3

About ethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate

ethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate (PubChem CID 10638912) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate
PubChem CID10638912
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate
SMILESCCOC(=O)c1c(C)ncc2c1-c1ccc(OC)c(C)c1OC2
InChIInChI=1S/C18H19NO4/c1-5-22-18(20)15-11(3)19-8-12-9-23-17-10(2)14(21-4)7-6-13(17)16(12)15/h6-8H,5,9H2,1-4H3
InChIKeyCATJYSXVHMWRMX-UHFFFAOYSA-N
XLogP3.44
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate
CID 71747575
diethyl 4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 11291749
ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate
CID 23241620
ethyl 2-bromo-4-methoxypyridine-3-carboxylate
CID 90167118
diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate
CID 135122096
diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232519
ethyl 3-methoxy-5-methylpyridine-4-carboxylate
CID 171030458
ethyl 2-(3,6-dimethoxy-2-methylphenyl)-2-oxoacetate
CID 117383449
ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate
CID 67464918
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920
ethyl 6-methoxy-2H-indazole-7-carboxylate
CID 166638452

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate?
The IUPAC name of ethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate (CID 10638912) is ethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate?
The canonical SMILES for ethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate is CCOC(=O)c1c(C)ncc2c1-c1ccc(OC)c(C)c1OC2.
What is the InChIKey of ethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate?
The InChIKey is CATJYSXVHMWRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-5-22-18(20)15-11(3)19-8-12-9-23-17-10(2)14(21-4)7-6-13(17)16(12)15/h6-8H,5,9H2,1-4H3.
What are the key properties of ethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate?
ethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-2,7-dimethyl-5H-chromeno[3,4-c]pyridine-1-carboxylate is sourced from PubChem (CID 10638912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).