N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide

C21H18FN3O — CID 113016676

IUPACN-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCCc3ccccc32)nc1)c1ccccc1F
InChIInChI=1S/C21H18FN3O/c22-18-9-3-2-8-17(18)21(26)24-16-11-12-20(23-14-16)25-13-5-7-15-6-1-4-10-19(15)25/h1-4,6,8-12,14H,5,7,13H2,(H,24,26)
InChIKeyXHQWMPQGUUIBAW-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.56
Rot. Bonds3

About N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide

N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide (PubChem CID 113016676) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide
PubChem CID113016676
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC NameN-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCCc3ccccc32)nc1)c1ccccc1F
InChIInChI=1S/C21H18FN3O/c22-18-9-3-2-8-17(18)21(26)24-16-11-12-20(23-14-16)25-13-5-7-15-6-1-4-10-19(15)25/h1-4,6,8-12,14H,5,7,13H2,(H,24,26)
InChIKeyXHQWMPQGUUIBAW-UHFFFAOYSA-N
XLogP4.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113016670
2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014414
N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162476
1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea
CID 113016721
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 84576434
N-(2,4-difluorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162499
[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]hydrazine
CID 82055128
6-(3,4-dihydro-2H-quinolin-1-yl)-N-methylpyridine-3-carboxamide
CID 84570471
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109290679
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109162480
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 22777398
3-chloro-N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide
CID 113016598

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide (CID 113016676) is N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide is O=C(Nc1ccc(N2CCCc3ccccc32)nc1)c1ccccc1F.
What is the InChIKey of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is XHQWMPQGUUIBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c22-18-9-3-2-8-17(18)21(26)24-16-11-12-20(23-14-16)25-13-5-7-15-6-1-4-10-19(15)25/h1-4,6,8-12,14H,5,7,13H2,(H,24,26).
What are the key properties of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide?
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 347.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 113016676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).