2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide

C21H22F2N2O2 — CID 34009418

IUPAC2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C21H22F2N2O2/c1-14(26)19(10-15-6-3-2-4-7-15)24-20(27)13-25-9-5-8-16-11-17(22)12-18(23)21(16)25/h2-4,6-7,11-12,19H,5,8-10,13H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyLVKHDJGVLMQEMX-IBGZPJMESA-N
MW372.42 g/mol
LogP3.03
Rot. Bonds6

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

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 34009418) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID34009418
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C21H22F2N2O2/c1-14(26)19(10-15-6-3-2-4-7-15)24-20(27)13-25-9-5-8-16-11-17(22)12-18(23)21(16)25/h2-4,6-7,11-12,19H,5,8-10,13H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyLVKHDJGVLMQEMX-IBGZPJMESA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8593487
2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 18269301
2-(azocan-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 2496918
2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8704361
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 34008890
2-(4-benzylpiperazin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7809338
N-(1-acetylpiperidin-4-yl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 55627158
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-(4-methylpiperidin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8543566
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9046433
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 41253691

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (CID 34009418) is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCCc2cc(F)cc(F)c21.
What is the InChIKey of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is LVKHDJGVLMQEMX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-14(26)19(10-15-6-3-2-4-7-15)24-20(27)13-25-9-5-8-16-11-17(22)12-18(23)21(16)25/h2-4,6-7,11-12,19H,5,8-10,13H2,1H3,(H,24,27)/t19-/m0/s1.
What are the key properties of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 3.03, 6 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-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 34009418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).