6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

C24H27NO4 — CID 146306209

IUPAC6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESC=C(CC/C=C/c1ccc2c(c1)C(O)(c1ccccc1)C(OC)C(=O)N2)OCC
InChIInChI=1S/C24H27NO4/c1-4-29-17(2)10-8-9-11-18-14-15-21-20(16-18)24(27,19-12-6-5-7-13-19)22(28-3)23(26)25-21/h5-7,9,11-16,22,27H,2,4,8,10H2,1,3H3,(H,25,26)/b11-9+
InChIKeyOAXATSJFJNOLMH-PKNBQFBNSA-N
MW393.48 g/mol
LogP4.23
Rot. Bonds8

About 6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (PubChem CID 146306209) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
PubChem CID146306209
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESC=C(CC/C=C/c1ccc2c(c1)C(O)(c1ccccc1)C(OC)C(=O)N2)OCC
InChIInChI=1S/C24H27NO4/c1-4-29-17(2)10-8-9-11-18-14-15-21-20(16-18)24(27,19-12-6-5-7-13-19)22(28-3)23(26)25-21/h5-7,9,11-16,22,27H,2,4,8,10H2,1,3H3,(H,25,26)/b11-9+
InChIKeyOAXATSJFJNOLMH-PKNBQFBNSA-N
XLogP4.23
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one with MolForge

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Related Compounds

6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
CID 146306302
6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
CID 146306205
6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
CID 146306369
7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
CID 142438066
4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one
CID 146306395
6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
CID 146306378
ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate
CID 73056724
1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
CID 149248585
4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde
CID 146306262
ethyl (E)-7-phenylhept-6-enoate
CID 134964924
methyl (E)-2-methylidene-6-phenylhex-5-enoate
CID 58412278
ethyl (E)-3-[(Z)-4-phenylbut-3-enoxy]but-2-enoate
CID 71505275

Frequently Asked Questions

What is the IUPAC name of 6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (CID 146306209) is 6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is C=C(CC/C=C/c1ccc2c(c1)C(O)(c1ccccc1)C(OC)C(=O)N2)OCC.
What is the InChIKey of 6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The InChIKey is OAXATSJFJNOLMH-PKNBQFBNSA-N. The full InChI is InChI=1S/C24H27NO4/c1-4-29-17(2)10-8-9-11-18-14-15-21-20(16-18)24(27,19-12-6-5-7-13-19)22(28-3)23(26)25-21/h5-7,9,11-16,22,27H,2,4,8,10H2,1,3H3,(H,25,26)/b11-9+.
What are the key properties of 6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one has a molecular weight of 393.48 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 146306209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).