ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate

C17H21NO4 — CID 86685267

IUPACethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate
SMILESCCOC(=O)c1cc(OCC)c2nc(C)cc(OCC)c2c1
InChIInChI=1S/C17H21NO4/c1-5-20-14-8-11(4)18-16-13(14)9-12(17(19)22-7-3)10-15(16)21-6-2/h8-10H,5-7H2,1-4H3
InChIKeyAHNFIEOTDBVDSX-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.52
Rot. Bonds6

About ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate

ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate (PubChem CID 86685267) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate
PubChem CID86685267
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Nameethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate
SMILESCCOC(=O)c1cc(OCC)c2nc(C)cc(OCC)c2c1
InChIInChI=1S/C17H21NO4/c1-5-20-14-8-11(4)18-16-13(14)9-12(17(19)22-7-3)10-15(16)21-6-2/h8-10H,5-7H2,1-4H3
InChIKeyAHNFIEOTDBVDSX-UHFFFAOYSA-N
XLogP3.52
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate
CID 66487495
ethyl 4-methoxy-2-methylquinoline-6-carboxylate
CID 23877743
8-ethoxy-2-methylquinoline-4-carboxamide
CID 82574053
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 3-ethoxy-4-fluoro-5-methylbenzoate
CID 164893368
(2-amino-2-oxoethyl) 3,4,5-triethoxybenzoate
CID 2363630
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
ethyl 8-ethoxyquinoline-3-carboxylate
CID 122362443
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 166059456
ethyl 4-ethoxyquinoline-7-carboxylate
CID 91667888
methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate
CID 82575172

Frequently Asked Questions

What is the IUPAC name of ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate?
The IUPAC name of ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate (CID 86685267) is ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate?
The canonical SMILES for ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate is CCOC(=O)c1cc(OCC)c2nc(C)cc(OCC)c2c1.
What is the InChIKey of ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate?
The InChIKey is AHNFIEOTDBVDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-5-20-14-8-11(4)18-16-13(14)9-12(17(19)22-7-3)10-15(16)21-6-2/h8-10H,5-7H2,1-4H3.
What are the key properties of ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate?
ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate is sourced from PubChem (CID 86685267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).