N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide

C21H22FN3O — CID 24762045

IUPACN-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3F)ccc2n1
InChIInChI=1S/C21H22FN3O/c1-4-25(5-2)20-12-14(3)17-13-15(10-11-19(17)24-20)23-21(26)16-8-6-7-9-18(16)22/h6-13H,4-5H2,1-3H3,(H,23,26)
InChIKeyURTRKNPYHWGHKH-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.78
Rot. Bonds5

About N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide

N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide (PubChem CID 24762045) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide
PubChem CID24762045
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3F)ccc2n1
InChIInChI=1S/C21H22FN3O/c1-4-25(5-2)20-12-14(3)17-13-15(10-11-19(17)24-20)23-21(26)16-8-6-7-9-18(16)22/h6-13H,4-5H2,1-3H3,(H,23,26)
InChIKeyURTRKNPYHWGHKH-UHFFFAOYSA-N
XLogP4.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide
CID 46364151
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(dimethylamino)benzamide
CID 46364150
N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-(4-methylphenyl)acetamide
CID 122174559
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide
CID 145008001
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
N-(9-ethylcarbazol-3-yl)-2-fluorobenzamide
CID 3128405
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide
CID 46365100
2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982009

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide?
The IUPAC name of N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide (CID 24762045) is N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide is CCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3F)ccc2n1.
What is the InChIKey of N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide?
The InChIKey is URTRKNPYHWGHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-4-25(5-2)20-12-14(3)17-13-15(10-11-19(17)24-20)23-21(26)16-8-6-7-9-18(16)22/h6-13H,4-5H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide?
N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide has a molecular weight of 351.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide is sourced from PubChem (CID 24762045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).