methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate

C16H15NO3 — CID 167613038

IUPACmethyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate
SMILESCOC(=O)/C=C/CCC(=O)c1cccc2cccnc12
InChIInChI=1S/C16H15NO3/c1-20-15(19)10-3-2-9-14(18)13-8-4-6-12-7-5-11-17-16(12)13/h3-8,10-11H,2,9H2,1H3/b10-3+
InChIKeyLILTUVQSLFFBPJ-XCVCLJGOSA-N
MW269.30 g/mol
LogP2.93
Rot. Bonds5

About methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate

methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate (PubChem CID 167613038) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate.

Molecular Properties

Compound Namemethyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate
PubChem CID167613038
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate
SMILESCOC(=O)/C=C/CCC(=O)c1cccc2cccnc12
InChIInChI=1S/C16H15NO3/c1-20-15(19)10-3-2-9-14(18)13-8-4-6-12-7-5-11-17-16(12)13/h3-8,10-11H,2,9H2,1H3/b10-3+
InChIKeyLILTUVQSLFFBPJ-XCVCLJGOSA-N
XLogP2.93
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl (E)-but-2-enedioate;1,10-phenanthroline;platinum
CID 10896613
4-methyl-1-quinolin-8-ylhex-5-en-1-one
CID 100969950
methyl (E)-7-(naphthalene-1-carbonylamino)-6-oxohept-2-enoate
CID 158483247
4-phenyl-1-quinolin-8-ylbutan-1-one
CID 105093201
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
3,5-dimethyl-1-quinolin-8-ylhexan-1-one
CID 114201644
methyl (E)-6-oxo-5-(4-phenylphenyl)-6-(quinolin-8-ylamino)hex-2-enoate
CID 164897797
palladium;quinoline-8-carboxylic acid
CID 174945118
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813

Frequently Asked Questions

What is the IUPAC name of methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate?
The IUPAC name of methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate (CID 167613038) is methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate.
What is the SMILES notation for methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate?
The canonical SMILES for methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate is COC(=O)/C=C/CCC(=O)c1cccc2cccnc12.
What is the InChIKey of methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate?
The InChIKey is LILTUVQSLFFBPJ-XCVCLJGOSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-15(19)10-3-2-9-14(18)13-8-4-6-12-7-5-11-17-16(12)13/h3-8,10-11H,2,9H2,1H3/b10-3+.
What are the key properties of methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate?
methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate has a molecular weight of 269.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate is sourced from PubChem (CID 167613038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).