N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide

C17H17FN2O — CID 154782506

IUPACN-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCc2c(F)cccc21
InChIInChI=1S/C17H17FN2O/c18-15-9-4-10-16-14(15)8-5-11-20(16)17(21)19-12-13-6-2-1-3-7-13/h1-4,6-7,9-10H,5,8,11-12H2,(H,19,21)
InChIKeyWQYOMEHDPASHRZ-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.49
Rot. Bonds2

About N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide

N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 154782506) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID154782506
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCc2c(F)cccc21
InChIInChI=1S/C17H17FN2O/c18-15-9-4-10-16-14(15)8-5-11-20(16)17(21)19-12-13-6-2-1-3-7-13/h1-4,6-7,9-10H,5,8,11-12H2,(H,19,21)
InChIKeyWQYOMEHDPASHRZ-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 107653024
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CID 110747443
N-benzyl-7-nitro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110354585
N-benzylazonane-1-carboxamide
CID 130689649
1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide
CID 91911956
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 25134134
4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid
CID 122020416
1-(cyclobutylmethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61199124
1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78866067
N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
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CID 108898587

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide (CID 154782506) is N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(NCc1ccccc1)N1CCCc2c(F)cccc21.
What is the InChIKey of N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is WQYOMEHDPASHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-9-4-10-16-14(15)8-5-11-20(16)17(21)19-12-13-6-2-1-3-7-13/h1-4,6-7,9-10H,5,8,11-12H2,(H,19,21).
What are the key properties of N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide?
N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 154782506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).