N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide

C19H19FN2O2 — CID 50832530

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)Cc3cccc(F)c3)cc21
InChIInChI=1S/C19H19FN2O2/c1-13(23)22-9-3-5-15-7-8-17(12-18(15)22)21-19(24)11-14-4-2-6-16(20)10-14/h2,4,6-8,10,12H,3,5,9,11H2,1H3,(H,21,24)
InChIKeyOBELAWFQQBDYOO-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.31
Rot. Bonds3

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide (PubChem CID 50832530) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide
PubChem CID50832530
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)Cc3cccc(F)c3)cc21
InChIInChI=1S/C19H19FN2O2/c1-13(23)22-9-3-5-15-7-8-17(12-18(15)22)21-19(24)11-14-4-2-6-16(20)10-14/h2,4,6-8,10,12H,3,5,9,11H2,1H3,(H,21,24)
InChIKeyOBELAWFQQBDYOO-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-fluorophenyl)oxamide
CID 7586378
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide
CID 7527164
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
CID 7517556
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-methylphenyl)acetamide
CID 27537491
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 17461202
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(2-methoxyphenoxy)acetamide
CID 7517220
4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
CID 18070264
1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 43230566
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110627232
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide (CID 50832530) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide is CC(=O)N1CCCc2ccc(NC(=O)Cc3cccc(F)c3)cc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide?
The InChIKey is OBELAWFQQBDYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13(23)22-9-3-5-15-7-8-17(12-18(15)22)21-19(24)11-14-4-2-6-16(20)10-14/h2,4,6-8,10,12H,3,5,9,11H2,1H3,(H,21,24).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide has a molecular weight of 326.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 50832530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).