ethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate

C16H22N2O3 — CID 5344000

IUPACethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(c1C)/C(=N/O)CC(C)(C)C2
InChIInChI=1S/C16H22N2O3/c1-6-21-15(19)13-9(2)14-11(17-10(13)3)7-16(4,5)8-12(14)18-20/h20H,6-8H2,1-5H3/b18-12+
InChIKeyQZADYVKCOXLBRV-LDADJPATSA-N
MW290.36 g/mol
LogP3.03
Rot. Bonds2

About ethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate

ethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate (PubChem CID 5344000) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate
PubChem CID5344000
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(c1C)/C(=N/O)CC(C)(C)C2
InChIInChI=1S/C16H22N2O3/c1-6-21-15(19)13-9(2)14-11(17-10(13)3)7-16(4,5)8-12(14)18-20/h20H,6-8H2,1-5H3/b18-12+
InChIKeyQZADYVKCOXLBRV-LDADJPATSA-N
XLogP3.03
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate?
The IUPAC name of ethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate (CID 5344000) is ethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate?
The canonical SMILES for ethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate is CCOC(=O)c1c(C)nc2c(c1C)/C(=N/O)CC(C)(C)C2.
What is the InChIKey of ethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate?
The InChIKey is QZADYVKCOXLBRV-LDADJPATSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-6-21-15(19)13-9(2)14-11(17-10(13)3)7-16(4,5)8-12(14)18-20/h20H,6-8H2,1-5H3/b18-12+.
What are the key properties of ethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate?
ethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5E)-5-hydroxyimino-2,4,7,7-tetramethyl-6,8-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 5344000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).