3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone

C24H23NO3 — CID 4954325

IUPAC3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OCCOc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C24H23NO3/c26-24(25-16-8-10-19-9-4-6-14-22(19)25)21-13-5-7-15-23(21)28-18-17-27-20-11-2-1-3-12-20/h1-7,9,11-15H,8,10,16-18H2
InChIKeyWCXYKINLECPUQD-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.74
Rot. Bonds6

About 3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone

3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone (PubChem CID 4954325) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
PubChem CID4954325
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OCCOc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C24H23NO3/c26-24(25-16-8-10-19-9-4-6-14-22(19)25)21-13-5-7-15-23(21)28-18-17-27-20-11-2-1-3-12-20/h1-7,9,11-15H,8,10,16-18H2
InChIKeyWCXYKINLECPUQD-UHFFFAOYSA-N
XLogP4.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
2,3-dihydroindol-1-yl-(2-phenylmethoxyphenyl)methanone
CID 4946349
3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 86893884
3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10362298
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide
CID 22405231
[2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 18205239
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methylphenoxy)-3-pyridinyl]methanone
CID 67379820
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955256
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone
CID 18103454
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 113006333
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone (CID 4954325) is 3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone is O=C(c1ccccc1OCCOc1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone?
The InChIKey is WCXYKINLECPUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c26-24(25-16-8-10-19-9-4-6-14-22(19)25)21-13-5-7-15-23(21)28-18-17-27-20-11-2-1-3-12-20/h1-7,9,11-15H,8,10,16-18H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone has a molecular weight of 373.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone is sourced from PubChem (CID 4954325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).