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

C18H17FN2O2 — CID 7527164

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)c3cccc(F)c3)cc21
InChIInChI=1S/C18H17FN2O2/c1-12(22)21-9-3-5-13-7-8-16(11-17(13)21)20-18(23)14-4-2-6-15(19)10-14/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,20,23)
InChIKeyILYTYWNTJBTCSJ-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.38
Rot. Bonds2

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

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide (PubChem CID 7527164) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide
PubChem CID7527164
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)c3cccc(F)c3)cc21
InChIInChI=1S/C18H17FN2O2/c1-12(22)21-9-3-5-13-7-8-16(11-17(13)21)20-18(23)14-4-2-6-15(19)10-14/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,20,23)
InChIKeyILYTYWNTJBTCSJ-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.38
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)-2-(3-fluorophenyl)acetamide
CID 50832530
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
CID 7586167
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
CID 7517556
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide
CID 7527150
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-fluorobenzamide
CID 27656132
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
3,4-difluoro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517474
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 39073454
3-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 110729116
3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27656057

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide (CID 7527164) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide is CC(=O)N1CCCc2ccc(NC(=O)c3cccc(F)c3)cc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide?
The InChIKey is ILYTYWNTJBTCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12(22)21-9-3-5-13-7-8-16(11-17(13)21)20-18(23)14-4-2-6-15(19)10-14/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,20,23).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide has a molecular weight of 312.34 g/mol, XLogP of 3.38, 2 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)-3-fluorobenzamide is sourced from PubChem (CID 7527164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).