3-amino-4-fluoro-N-quinolin-3-ylbenzamide

C16H12FN3O — CID 61111864

IUPAC3-amino-4-fluoro-N-quinolin-3-ylbenzamide
SMILESNc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1F
InChIInChI=1S/C16H12FN3O/c17-13-6-5-11(8-14(13)18)16(21)20-12-7-10-3-1-2-4-15(10)19-9-12/h1-9H,18H2,(H,20,21)
InChIKeyUSGHTAPZGYZRRY-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.21
Rot. Bonds2

About 3-amino-4-fluoro-N-quinolin-3-ylbenzamide

3-amino-4-fluoro-N-quinolin-3-ylbenzamide (PubChem CID 61111864) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-quinolin-3-ylbenzamide
PubChem CID61111864
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name3-amino-4-fluoro-N-quinolin-3-ylbenzamide
SMILESNc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1F
InChIInChI=1S/C16H12FN3O/c17-13-6-5-11(8-14(13)18)16(21)20-12-7-10-3-1-2-4-15(10)19-9-12/h1-9H,18H2,(H,20,21)
InChIKeyUSGHTAPZGYZRRY-UHFFFAOYSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
2-amino-4-chloro-N-quinolin-3-ylbenzamide
CID 61111494
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
2-(4-fluorobenzoyl)-N-quinolin-3-ylbenzamide
CID 39975789
N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 39857899
6-(methylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 62808644
1-methyl-N-quinolin-3-yl-2,3-dihydroindole-5-carboxamide
CID 10447706
3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide
CID 64523845
6-amino-N-quinolin-3-ylpyridine-2-carboxamide
CID 62805980
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-quinolin-3-ylbenzamide?
The IUPAC name of 3-amino-4-fluoro-N-quinolin-3-ylbenzamide (CID 61111864) is 3-amino-4-fluoro-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-quinolin-3-ylbenzamide?
The canonical SMILES for 3-amino-4-fluoro-N-quinolin-3-ylbenzamide is Nc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-quinolin-3-ylbenzamide?
The InChIKey is USGHTAPZGYZRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-6-5-11(8-14(13)18)16(21)20-12-7-10-3-1-2-4-15(10)19-9-12/h1-9H,18H2,(H,20,21).
What are the key properties of 3-amino-4-fluoro-N-quinolin-3-ylbenzamide?
3-amino-4-fluoro-N-quinolin-3-ylbenzamide has a molecular weight of 281.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 61111864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).