2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide

C20H22F2N2O — CID 43065858

IUPAC2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(CN1CCCc2cc(F)cc(F)c21)NCCCc1ccccc1
InChIInChI=1S/C20H22F2N2O/c21-17-12-16-9-5-11-24(20(16)18(22)13-17)14-19(25)23-10-4-8-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,23,25)
InChIKeyMSKDTAYQOIHTMA-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.47
Rot. Bonds6

About 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 43065858) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide
PubChem CID43065858
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(CN1CCCc2cc(F)cc(F)c21)NCCCc1ccccc1
InChIInChI=1S/C20H22F2N2O/c21-17-12-16-9-5-11-24(20(16)18(22)13-17)14-19(25)23-10-4-8-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,23,25)
InChIKeyMSKDTAYQOIHTMA-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 34009418
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43065877
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55852226
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide
CID 34009318
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 34008980
N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide
CID 43065952
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 34008890
3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2548699
N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 43065906
2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide
CID 86972389
N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 43065986

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide (CID 43065858) is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide is O=C(CN1CCCc2cc(F)cc(F)c21)NCCCc1ccccc1.
What is the InChIKey of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is MSKDTAYQOIHTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O/c21-17-12-16-9-5-11-24(20(16)18(22)13-17)14-19(25)23-10-4-8-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,23,25).
What are the key properties of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide?
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 344.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 43065858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).