4-[(8-fluoroquinolin-4-yl)amino]benzamide

C16H12FN3O — CID 43833030

IUPAC4-[(8-fluoroquinolin-4-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2ccnc3c(F)cccc23)cc1
InChIInChI=1S/C16H12FN3O/c17-13-3-1-2-12-14(8-9-19-15(12)13)20-11-6-4-10(5-7-11)16(18)21/h1-9H,(H2,18,21)(H,19,20)
InChIKeyGIXJIHVVFQRVCF-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.22
Rot. Bonds3

About 4-[(8-fluoroquinolin-4-yl)amino]benzamide

4-[(8-fluoroquinolin-4-yl)amino]benzamide (PubChem CID 43833030) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-[(8-fluoroquinolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(8-fluoroquinolin-4-yl)amino]benzamide
PubChem CID43833030
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name4-[(8-fluoroquinolin-4-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2ccnc3c(F)cccc23)cc1
InChIInChI=1S/C16H12FN3O/c17-13-3-1-2-12-14(8-9-19-15(12)13)20-11-6-4-10(5-7-11)16(18)21/h1-9H,(H2,18,21)(H,19,20)
InChIKeyGIXJIHVVFQRVCF-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide
CID 43833029
N-(4-chlorophenyl)-8-fluoroquinolin-4-amine
CID 43833203
1-(8-fluoroquinolin-4-yl)-2-phenylhydrazine
CID 43832731
4-(4-chloroanilino)quinolin-8-ol
CID 152720293
3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid
CID 46397774
N-(2,4-dimethylphenyl)-8-fluoroquinolin-4-amine
CID 43832975
4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
CID 50877965
trans-(1S,3S)-3-[(8-fluoroquinolin-4-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95859057
4-N-(4-bromophenyl)quinoline-4,8-diamine
CID 83061245
4-(2-carbamoyl-3-fluoroanilino)benzoic acid
CID 79513280
4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine
CID 83060895
4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzamide
CID 103299122

Frequently Asked Questions

What is the IUPAC name of 4-[(8-fluoroquinolin-4-yl)amino]benzamide?
The IUPAC name of 4-[(8-fluoroquinolin-4-yl)amino]benzamide (CID 43833030) is 4-[(8-fluoroquinolin-4-yl)amino]benzamide.
What is the SMILES notation for 4-[(8-fluoroquinolin-4-yl)amino]benzamide?
The canonical SMILES for 4-[(8-fluoroquinolin-4-yl)amino]benzamide is NC(=O)c1ccc(Nc2ccnc3c(F)cccc23)cc1.
What is the InChIKey of 4-[(8-fluoroquinolin-4-yl)amino]benzamide?
The InChIKey is GIXJIHVVFQRVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-3-1-2-12-14(8-9-19-15(12)13)20-11-6-4-10(5-7-11)16(18)21/h1-9H,(H2,18,21)(H,19,20).
What are the key properties of 4-[(8-fluoroquinolin-4-yl)amino]benzamide?
4-[(8-fluoroquinolin-4-yl)amino]benzamide has a molecular weight of 281.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-fluoroquinolin-4-yl)amino]benzamide is sourced from PubChem (CID 43833030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).