4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide

C21H22FN3O — CID 3206673

IUPAC4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide
SMILESCc1cc2cc(C)c(NCCNC(=O)c3ccc(F)cc3)nc2cc1C
InChIInChI=1S/C21H22FN3O/c1-13-10-17-11-15(3)20(25-19(17)12-14(13)2)23-8-9-24-21(26)16-4-6-18(22)7-5-16/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWPTYPNGLWNEMAJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.14
Rot. Bonds5

About 4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide

4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide (PubChem CID 3206673) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide
PubChem CID3206673
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide
SMILESCc1cc2cc(C)c(NCCNC(=O)c3ccc(F)cc3)nc2cc1C
InChIInChI=1S/C21H22FN3O/c1-13-10-17-11-15(3)20(25-19(17)12-14(13)2)23-8-9-24-21(26)16-4-6-18(22)7-5-16/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWPTYPNGLWNEMAJ-UHFFFAOYSA-N
XLogP4.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.14
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

N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 3213301
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 121074564
4-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133298596
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-fluorobenzamide
CID 56699080
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 56699285
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide
CID 133460629
N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide
CID 42809176
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277
N-[3-(4-fluorophenyl)propyl]-3,4-dimethylbenzamide
CID 100670175

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide (CID 3206673) is 4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide is Cc1cc2cc(C)c(NCCNC(=O)c3ccc(F)cc3)nc2cc1C.
What is the InChIKey of 4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide?
The InChIKey is WPTYPNGLWNEMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-13-10-17-11-15(3)20(25-19(17)12-14(13)2)23-8-9-24-21(26)16-4-6-18(22)7-5-16/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide?
4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide has a molecular weight of 351.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 3206673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).