2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one

C26H26N2O — CID 20931351

IUPAC2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
SMILESCc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3cc(C)ccc3[nH]2)cc1
InChIInChI=1S/C26H26N2O/c1-19-8-11-22(12-9-19)17-28(16-21-6-4-3-5-7-21)18-23-15-26(29)24-14-20(2)10-13-25(24)27-23/h3-15H,16-18H2,1-2H3,(H,27,29)
InChIKeyGEWDDKYAKRCZMS-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.35
Rot. Bonds6

About 2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one

2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one (PubChem CID 20931351) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
PubChem CID20931351
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
SMILESCc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3cc(C)ccc3[nH]2)cc1
InChIInChI=1S/C26H26N2O/c1-19-8-11-22(12-9-19)17-28(16-21-6-4-3-5-7-21)18-23-15-26(29)24-14-20(2)10-13-25(24)27-23/h3-15H,16-18H2,1-2H3,(H,27,29)
InChIKeyGEWDDKYAKRCZMS-UHFFFAOYSA-N
XLogP5.35
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one (CID 20931351) is 2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one is Cc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3cc(C)ccc3[nH]2)cc1.
What is the InChIKey of 2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one?
The InChIKey is GEWDDKYAKRCZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-19-8-11-22(12-9-19)17-28(16-21-6-4-3-5-7-21)18-23-15-26(29)24-14-20(2)10-13-25(24)27-23/h3-15H,16-18H2,1-2H3,(H,27,29).
What are the key properties of 2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one?
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one has a molecular weight of 382.51 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 20931351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).