2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

C23H26F2N2O2 — CID 55852226

IUPAC2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(CN1CCCc2cc(F)cc(F)c21)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H26F2N2O2/c24-19-13-17-5-4-10-27(22(17)20(25)14-19)15-21(28)26-16-23(8-11-29-12-9-23)18-6-2-1-3-7-18/h1-3,6-7,13-14H,4-5,8-12,15-16H2,(H,26,28)
InChIKeyWDAOORCYTWIIDX-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.58
Rot. Bonds5

About 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 55852226) has the molecular formula C23H26F2N2O2 and a molecular weight of 400.47 g/mol. Its IUPAC name is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID55852226
Molecular FormulaC23H26F2N2O2
Molecular Weight400.47 g/mol
Exact Mass400.20
IUPAC Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(CN1CCCc2cc(F)cc(F)c21)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H26F2N2O2/c24-19-13-17-5-4-10-27(22(17)20(25)14-19)15-21(28)26-16-23(8-11-29-12-9-23)18-6-2-1-3-7-18/h1-3,6-7,13-14H,4-5,8-12,15-16H2,(H,26,28)
InChIKeyWDAOORCYTWIIDX-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide with MolForge

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Related Compounds

2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide
CID 55658381
3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 56502005
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55853449
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide
CID 95100723
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 86984557
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55831338

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 55852226) is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide is O=C(CN1CCCc2cc(F)cc(F)c21)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is WDAOORCYTWIIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O2/c24-19-13-17-5-4-10-27(22(17)20(25)14-19)15-21(28)26-16-23(8-11-29-12-9-23)18-6-2-1-3-7-18/h1-3,6-7,13-14H,4-5,8-12,15-16H2,(H,26,28).
What are the key properties of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 400.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 55852226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).