2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide

C19H18FN3O — CID 133271470

IUPAC2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide
SMILESCc1cc(NCCNC(=O)c2ccccc2F)c2ccccc2n1
InChIInChI=1S/C19H18FN3O/c1-13-12-18(15-7-3-5-9-17(15)23-13)21-10-11-22-19(24)14-6-2-4-8-16(14)20/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyMGMHKHHBEUFNJG-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.52
Rot. Bonds5

About 2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide

2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide (PubChem CID 133271470) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide
PubChem CID133271470
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide
SMILESCc1cc(NCCNC(=O)c2ccccc2F)c2ccccc2n1
InChIInChI=1S/C19H18FN3O/c1-13-12-18(15-7-3-5-9-17(15)23-13)21-10-11-22-19(24)14-6-2-4-8-16(14)20/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyMGMHKHHBEUFNJG-UHFFFAOYSA-N
XLogP3.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133298322
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 133329971
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
N-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]-2-fluorobenzamide
CID 133468407
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
CID 60716333

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide (CID 133271470) is 2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide is Cc1cc(NCCNC(=O)c2ccccc2F)c2ccccc2n1.
What is the InChIKey of 2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide?
The InChIKey is MGMHKHHBEUFNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13-12-18(15-7-3-5-9-17(15)23-13)21-10-11-22-19(24)14-6-2-4-8-16(14)20/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide?
2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide has a molecular weight of 323.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 133271470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).