methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate

C18H20N2O5 — CID 138028882

IUPACmethyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCCOc1cc(C(=O)N2CCCc3cc(C(=O)OC)cc(C)c32)on1
InChIInChI=1S/C18H20N2O5/c1-4-24-15-10-14(25-19-15)17(21)20-7-5-6-12-9-13(18(22)23-3)8-11(2)16(12)20/h8-10H,4-7H2,1-3H3
InChIKeyCPBVGIUVLSYXKU-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.76
Rot. Bonds4

About methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate

methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate (PubChem CID 138028882) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
PubChem CID138028882
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCCOc1cc(C(=O)N2CCCc3cc(C(=O)OC)cc(C)c32)on1
InChIInChI=1S/C18H20N2O5/c1-4-24-15-10-14(25-19-15)17(21)20-7-5-6-12-9-13(18(22)23-3)8-11(2)16(12)20/h8-10H,4-7H2,1-3H3
InChIKeyCPBVGIUVLSYXKU-UHFFFAOYSA-N
XLogP2.76
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate with MolForge

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Related Compounds

methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate
CID 136560807
methyl 2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylate
CID 116993329
ethyl 2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxylate
CID 116993198
methyl 4-(7-methyl-2,3-dihydro-1H-inden-5-yl)benzoate;methyl 4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)benzoate;propanoyl chloride
CID 167574951
ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
CID 71919929
methyl 4-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carbonyl)benzoate
CID 10065527
(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 86887068
3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid
CID 58846560
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 52909095
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 66156167
3-ethoxy-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2-oxazole-5-carboxamide
CID 126814542

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate?
The IUPAC name of methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate (CID 138028882) is methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate?
The canonical SMILES for methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate is CCOc1cc(C(=O)N2CCCc3cc(C(=O)OC)cc(C)c32)on1.
What is the InChIKey of methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate?
The InChIKey is CPBVGIUVLSYXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-4-24-15-10-14(25-19-15)17(21)20-7-5-6-12-9-13(18(22)23-3)8-11(2)16(12)20/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate?
methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate is sourced from PubChem (CID 138028882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).