4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide

C27H18FN3O — CID 132546150

IUPAC4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(F)cc1-c1ccccc1-c1ccccn1
InChIInChI=1S/C27H18FN3O/c28-19-13-14-22(27(32)31-25-12-5-7-18-8-6-16-30-26(18)25)23(17-19)20-9-1-2-10-21(20)24-11-3-4-15-29-24/h1-17H,(H,31,32)
InChIKeyWAIAKLAGAPTWKB-UHFFFAOYSA-N
MW419.46 g/mol
LogP6.36
Rot. Bonds4

About 4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide

4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide (PubChem CID 132546150) has the molecular formula C27H18FN3O and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide
PubChem CID132546150
Molecular FormulaC27H18FN3O
Molecular Weight419.46 g/mol
Exact Mass419.14
IUPAC Name4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(F)cc1-c1ccccc1-c1ccccn1
InChIInChI=1S/C27H18FN3O/c28-19-13-14-22(27(32)31-25-12-5-7-18-8-6-16-30-26(18)25)23(17-19)20-9-1-2-10-21(20)24-11-3-4-15-29-24/h1-17H,(H,31,32)
InChIKeyWAIAKLAGAPTWKB-UHFFFAOYSA-N
XLogP6.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.46
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
CID 132546156
4-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846864
5-fluoro-N-quinolin-8-yl-1H-indole-3-carboxamide
CID 113205746
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
2-amino-3-fluoro-N-quinolin-8-ylpyridine-4-carboxamide
CID 105384038
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
CID 24710942
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
CID 108956736
3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 4647697
6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164851
2-chloro-N-quinolin-8-ylfuran-3-carboxamide
CID 106685180
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide?
The IUPAC name of 4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide (CID 132546150) is 4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1ccc(F)cc1-c1ccccc1-c1ccccn1.
What is the InChIKey of 4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide?
The InChIKey is WAIAKLAGAPTWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FN3O/c28-19-13-14-22(27(32)31-25-12-5-7-18-8-6-16-30-26(18)25)23(17-19)20-9-1-2-10-21(20)24-11-3-4-15-29-24/h1-17H,(H,31,32).
What are the key properties of 4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide?
4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide has a molecular weight of 419.46 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 132546150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).