N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide

C17H14FN3O — CID 43833029

IUPACN-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccnc3c(F)cccc23)cc1
InChIInChI=1S/C17H14FN3O/c1-11(22)20-12-5-7-13(8-6-12)21-16-9-10-19-17-14(16)3-2-4-15(17)18/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyRLDNLRYEKGULEH-UHFFFAOYSA-N
MW295.32 g/mol
LogP4.08
Rot. Bonds3

About N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide

N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide (PubChem CID 43833029) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide
PubChem CID43833029
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccnc3c(F)cccc23)cc1
InChIInChI=1S/C17H14FN3O/c1-11(22)20-12-5-7-13(8-6-12)21-16-9-10-19-17-14(16)3-2-4-15(17)18/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyRLDNLRYEKGULEH-UHFFFAOYSA-N
XLogP4.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(8-fluoroquinolin-4-yl)amino]benzamide
CID 43833030
N-(4-chlorophenyl)-8-fluoroquinolin-4-amine
CID 43833203
N-(2,4-dimethylphenyl)-8-fluoroquinolin-4-amine
CID 43832975
4-(4-chloroanilino)quinolin-8-ol
CID 152720293
trans-(1S,3S)-3-[(8-fluoroquinolin-4-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95859057
N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905840
1-(8-fluoroquinolin-4-yl)-2-phenylhydrazine
CID 43832731
2-fluoro-4-[(8-methylsulfonylquinolin-4-yl)amino]phenol
CID 118339789
N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone
CID 43833315
4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine
CID 83060895
N-(4-acetamidophenyl)-2-(2,6-difluoroanilino)pyridine-4-carboxamide
CID 109178580

Frequently Asked Questions

What is the IUPAC name of N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide (CID 43833029) is N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ccnc3c(F)cccc23)cc1.
What is the InChIKey of N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide?
The InChIKey is RLDNLRYEKGULEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-11(22)20-12-5-7-13(8-6-12)21-16-9-10-19-17-14(16)3-2-4-15(17)18/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide?
N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide has a molecular weight of 295.32 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 43833029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).