ethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate

C18H16N2O4 — CID 44549461

IUPACethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccnc3ccc(OC)cc23)on1
InChIInChI=1S/C18H16N2O4/c1-3-23-18(21)17-11-14(24-20-17)5-4-12-8-9-19-16-7-6-13(22-2)10-15(12)16/h4-11H,3H2,1-2H3/b5-4+
InChIKeyQLMGOTMPEDODPW-SNAWJCMRSA-N
MW324.34 g/mol
LogP3.58
Rot. Bonds5

About ethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate (PubChem CID 44549461) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate
PubChem CID44549461
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Nameethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccnc3ccc(OC)cc23)on1
InChIInChI=1S/C18H16N2O4/c1-3-23-18(21)17-11-14(24-20-17)5-4-12-8-9-19-16-7-6-13(22-2)10-15(12)16/h4-11H,3H2,1-2H3/b5-4+
InChIKeyQLMGOTMPEDODPW-SNAWJCMRSA-N
XLogP3.58
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-[3-[[2-(trifluoromethyl)-4-quinolyl]oxy]phenyl]isoxazole-3-carboxylate
CID 44572557
Ethyl 4-({5-[(quinolin-6-yloxy)methyl]isoxazol-3-yl}carbonyl)piperazine-1-carboxylate
CID 16187802
N-methyl-N-[(3-methylisoxazol-5-yl)methyl]-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide
CID 16188167
6-{[3-(Azepan-1-ylcarbonyl)isoxazol-5-yl]methoxy}quinoline
CID 16190805
6-({3-[(2-Ethylpiperidin-1-yl)carbonyl]isoxazol-5-yl}methoxy)quinoline
CID 16190915
6-({3-[(4-Propylpiperazin-1-yl)carbonyl]isoxazol-5-yl}methoxy)quinoline
CID 16190985
6-[(3-{[4-(Methoxymethyl)piperidin-1-yl]carbonyl}isoxazol-5-yl)methoxy]quinoline
CID 16191015
3-(Furan-2-yl)-4-(6-methoxy-3-pyridinyl)-5-phenyl-1,2-oxazole
CID 24761345
N,N-diethyl-1-({5-[(6-quinolinyloxy)methyl]-3-isoxazolyl}carbonyl)-3-piperidinecarboxamide
CID 24794266
[3-(Methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 24817489
[2-(Methoxymethyl)piperidino]-[5-(6-quinolyloxymethyl)isoxazol-3-yl]methanone
CID 24817878
ethyl 5-[(Z)-2-(4-quinolyl)vinyl]isoxazole-3-carboxylate
CID 44549330

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate (CID 44549461) is ethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(/C=C/c2ccnc3ccc(OC)cc23)on1.
What is the InChIKey of ethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is QLMGOTMPEDODPW-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-3-23-18(21)17-11-14(24-20-17)5-4-12-8-9-19-16-7-6-13(22-2)10-15(12)16/h4-11H,3H2,1-2H3/b5-4+.
What are the key properties of ethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44549461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).