N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide

C23H18ClFN2O2 — CID 16926858

IUPACN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C23H18ClFN2O2/c24-20-13-17(25)7-9-19(20)23(29)26-18-8-10-21-16(12-18)6-11-22(28)27(21)14-15-4-2-1-3-5-15/h1-5,7-10,12-13H,6,11,14H2,(H,26,29)
InChIKeyWXDZMXIRPDTVRL-UHFFFAOYSA-N
MW408.86 g/mol
LogP5.21
Rot. Bonds4

About N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide

N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide (PubChem CID 16926858) has the molecular formula C23H18ClFN2O2 and a molecular weight of 408.86 g/mol. Its IUPAC name is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide
PubChem CID16926858
Molecular FormulaC23H18ClFN2O2
Molecular Weight408.86 g/mol
Exact Mass408.10
IUPAC NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C23H18ClFN2O2/c24-20-13-17(25)7-9-19(20)23(29)26-18-8-10-21-16(12-18)6-11-22(28)27(21)14-15-4-2-1-3-5-15/h1-5,7-10,12-13H,6,11,14H2,(H,26,29)
InChIKeyWXDZMXIRPDTVRL-UHFFFAOYSA-N
XLogP5.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.86
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide (CID 16926858) is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide is O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccc(F)cc1Cl.
What is the InChIKey of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide?
The InChIKey is WXDZMXIRPDTVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O2/c24-20-13-17(25)7-9-19(20)23(29)26-18-8-10-21-16(12-18)6-11-22(28)27(21)14-15-4-2-1-3-5-15/h1-5,7-10,12-13H,6,11,14H2,(H,26,29).
What are the key properties of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide?
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide has a molecular weight of 408.86 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 16926858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).