1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

C23H22N2O2 — CID 3467330

IUPAC1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
SMILESCN1C(=CC(=O)COc2cccc3cccnc23)C(C)(C)c2ccccc21
InChIInChI=1S/C23H22N2O2/c1-23(2)18-10-4-5-11-19(18)25(3)21(23)14-17(26)15-27-20-12-6-8-16-9-7-13-24-22(16)20/h4-14H,15H2,1-3H3
InChIKeyGXXNRGVFRHWMCR-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.49
Rot. Bonds4

About 1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one (PubChem CID 3467330) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one.

Molecular Properties

Compound Name1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
PubChem CID3467330
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
SMILESCN1C(=CC(=O)COc2cccc3cccnc23)C(C)(C)c2ccccc21
InChIInChI=1S/C23H22N2O2/c1-23(2)18-10-4-5-11-19(18)25(3)21(23)14-17(26)15-27-20-12-6-8-16-9-7-13-24-22(16)20/h4-14H,15H2,1-3H3
InChIKeyGXXNRGVFRHWMCR-UHFFFAOYSA-N
XLogP4.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide
CID 3936401
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] pyridine-4-carboxylate
CID 7889710
[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-ethoxybenzoate
CID 7668993
ethyl 2-(1,3,3-trimethylindol-2-ylidene)acetate
CID 3275142
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(2,4-dichlorophenoxy)acetate
CID 3377126
(3Z)-1-[(3-nitro-2-pyridinyl)sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 167873569
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] (E)-3-quinolin-2-ylprop-2-enoate
CID 7890532
(3E)-1-isoquinolin-2-ium-2-yl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 2480408
[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-iodobenzoate
CID 2425199
(1Z)-4-(3-methylphenoxy)-1-(1,3,3-trimethylindol-2-ylidene)butan-2-one
CID 2402652
[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(2,6-dichlorophenyl)sulfanylacetate
CID 39906022
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2,4-dimethylbenzoate
CID 3977055

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The IUPAC name of 1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one (CID 3467330) is 1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one.
What is the SMILES notation for 1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The canonical SMILES for 1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is CN1C(=CC(=O)COc2cccc3cccnc23)C(C)(C)c2ccccc21.
What is the InChIKey of 1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The InChIKey is GXXNRGVFRHWMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-23(2)18-10-4-5-11-19(18)25(3)21(23)14-17(26)15-27-20-12-6-8-16-9-7-13-24-22(16)20/h4-14H,15H2,1-3H3.
What are the key properties of 1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one has a molecular weight of 358.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is sourced from PubChem (CID 3467330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).