N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide

C21H22FN3O — CID 15987804

IUPACN-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3cccc(F)c3)ccc2n1
InChIInChI=1S/C21H22FN3O/c1-4-25(5-2)20-11-14(3)18-13-17(9-10-19(18)24-20)23-21(26)15-7-6-8-16(22)12-15/h6-13H,4-5H2,1-3H3,(H,23,26)
InChIKeyWEBXDMFWYIQYOX-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.78
Rot. Bonds5

About N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide

N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide (PubChem CID 15987804) 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]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
PubChem CID15987804
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3cccc(F)c3)ccc2n1
InChIInChI=1S/C21H22FN3O/c1-4-25(5-2)20-11-14(3)18-13-17(9-10-19(18)24-20)23-21(26)15-7-6-8-16(22)12-15/h6-13H,4-5H2,1-3H3,(H,23,26)
InChIKeyWEBXDMFWYIQYOX-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide?
The IUPAC name of N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide (CID 15987804) is N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide is CCN(CC)c1cc(C)c2cc(NC(=O)c3cccc(F)c3)ccc2n1.
What is the InChIKey of N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide?
The InChIKey is WEBXDMFWYIQYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-4-25(5-2)20-11-14(3)18-13-17(9-10-19(18)24-20)23-21(26)15-7-6-8-16(22)12-15/h6-13H,4-5H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide?
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-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]-3-fluorobenzamide is sourced from PubChem (CID 15987804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).