3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide

C17H13FN2O2 — CID 78878548

IUPAC3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3ncccc3c2)cc1F
InChIInChI=1S/C17H13FN2O2/c1-22-16-7-4-12(10-14(16)18)17(21)20-13-5-6-15-11(9-13)3-2-8-19-15/h2-10H,1H3,(H,20,21)
InChIKeyKDTSCIHEKHJXCF-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.63
Rot. Bonds3

About 3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide

3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide (PubChem CID 78878548) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
PubChem CID78878548
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3ncccc3c2)cc1F
InChIInChI=1S/C17H13FN2O2/c1-22-16-7-4-12(10-14(16)18)17(21)20-13-5-6-15-11(9-13)3-2-8-19-15/h2-10H,1H3,(H,20,21)
InChIKeyKDTSCIHEKHJXCF-UHFFFAOYSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433
3-methoxy-4-prop-2-enoxy-N-quinolin-6-ylbenzamide
CID 60555760
N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
CID 115661425
N-quinolin-6-ylbenzamide
CID 833617
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
N-(4-ethoxy-3-methylphenyl)quinoline-6-carboxamide
CID 86874562
4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride
CID 90485217
N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide
CID 156859982
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
N-quinolin-6-yl-3-sulfanylbenzamide
CID 107028522
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
2-(methylamino)-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640761

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide (CID 78878548) is 3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide is COc1ccc(C(=O)Nc2ccc3ncccc3c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide?
The InChIKey is KDTSCIHEKHJXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-22-16-7-4-12(10-14(16)18)17(21)20-13-5-6-15-11(9-13)3-2-8-19-15/h2-10H,1H3,(H,20,21).
What are the key properties of 3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide?
3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide has a molecular weight of 296.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide is sourced from PubChem (CID 78878548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).