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

C21H21ClFN3O — CID 15987788

IUPAC2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(F)cc3Cl)ccc2n1
InChIInChI=1S/C21H21ClFN3O/c1-4-26(5-2)20-10-13(3)17-12-15(7-9-19(17)25-20)24-21(27)16-8-6-14(23)11-18(16)22/h6-12H,4-5H2,1-3H3,(H,24,27)
InChIKeyZYKYTTVSKVRBKV-UHFFFAOYSA-N
MW385.87 g/mol
LogP5.43
Rot. Bonds5

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

2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide (PubChem CID 15987788) has the molecular formula C21H21ClFN3O and a molecular weight of 385.87 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide
PubChem CID15987788
Molecular FormulaC21H21ClFN3O
Molecular Weight385.87 g/mol
Exact Mass385.14
IUPAC Name2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(F)cc3Cl)ccc2n1
InChIInChI=1S/C21H21ClFN3O/c1-4-26(5-2)20-10-13(3)17-12-15(7-9-19(17)25-20)24-21(27)16-8-6-14(23)11-18(16)22/h6-12H,4-5H2,1-3H3,(H,24,27)
InChIKeyZYKYTTVSKVRBKV-UHFFFAOYSA-N
XLogP5.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.87
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide (CID 15987788) is 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide is CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(F)cc3Cl)ccc2n1.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide?
The InChIKey is ZYKYTTVSKVRBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O/c1-4-26(5-2)20-10-13(3)17-12-15(7-9-19(17)25-20)24-21(27)16-8-6-14(23)11-18(16)22/h6-12H,4-5H2,1-3H3,(H,24,27).
What are the key properties of 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide?
2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide has a molecular weight of 385.87 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide is sourced from PubChem (CID 15987788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).