N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide

C26H24ClFN2O2 — CID 122172681

IUPACN-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)Cc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C26H24ClFN2O2/c1-17(31)30-13-12-26(2,19-6-4-3-5-7-19)21-16-20(9-11-24(21)30)29-25(32)15-18-8-10-23(28)22(27)14-18/h3-11,14,16H,12-13,15H2,1-2H3,(H,29,32)
InChIKeyBPUMHVWNPRQMRP-UHFFFAOYSA-N
MW450.94 g/mol
LogP5.72
Rot. Bonds4

About N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide

N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 122172681) has the molecular formula C26H24ClFN2O2 and a molecular weight of 450.94 g/mol. Its IUPAC name is N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide
PubChem CID122172681
Molecular FormulaC26H24ClFN2O2
Molecular Weight450.94 g/mol
Exact Mass450.15
IUPAC NameN-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)Cc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C26H24ClFN2O2/c1-17(31)30-13-12-26(2,19-6-4-3-5-7-19)21-16-20(9-11-24(21)30)29-25(32)15-18-8-10-23(28)22(27)14-18/h3-11,14,16H,12-13,15H2,1-2H3,(H,29,32)
InChIKeyBPUMHVWNPRQMRP-UHFFFAOYSA-N
XLogP5.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.94
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide (CID 122172681) is N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide is CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)Cc3ccc(F)c(Cl)c3)ccc21.
What is the InChIKey of N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is BPUMHVWNPRQMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O2/c1-17(31)30-13-12-26(2,19-6-4-3-5-7-19)21-16-20(9-11-24(21)30)29-25(32)15-18-8-10-23(28)22(27)14-18/h3-11,14,16H,12-13,15H2,1-2H3,(H,29,32).
What are the key properties of N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide?
N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 450.94 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-2-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 122172681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).