2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide

C26H24N2O2 — CID 159813759

IUPAC2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide
SMILESCc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]c(=O)ccc3c2)cc1
InChIInChI=1S/C26H24N2O2/c1-18-5-2-3-7-23(18)26(30)27-16-4-6-19-8-10-20(11-9-19)21-12-14-24-22(17-21)13-15-25(29)28-24/h2-3,5,7-15,17H,4,6,16H2,1H3,(H,27,30)(H,28,29)
InChIKeyZWNFCDQESVFJSL-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.87
Rot. Bonds6

About 2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide

2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide (PubChem CID 159813759) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide
PubChem CID159813759
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide
SMILESCc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]c(=O)ccc3c2)cc1
InChIInChI=1S/C26H24N2O2/c1-18-5-2-3-7-23(18)26(30)27-16-4-6-19-8-10-20(11-9-19)21-12-14-24-22(17-21)13-15-25(29)28-24/h2-3,5,7-15,17H,4,6,16H2,1H3,(H,27,30)(H,28,29)
InChIKeyZWNFCDQESVFJSL-UHFFFAOYSA-N
XLogP4.87
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide?
The IUPAC name of 2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide (CID 159813759) is 2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide is Cc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]c(=O)ccc3c2)cc1.
What is the InChIKey of 2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide?
The InChIKey is ZWNFCDQESVFJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-18-5-2-3-7-23(18)26(30)27-16-4-6-19-8-10-20(11-9-19)21-12-14-24-22(17-21)13-15-25(29)28-24/h2-3,5,7-15,17H,4,6,16H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide?
2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide is sourced from PubChem (CID 159813759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).