3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one

C20H30N2O — CID 728856

IUPAC3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(C)c(CN(CC(C)C)CC(C)C)c(=O)c2c1
InChIInChI=1S/C20H30N2O/c1-13(2)10-22(11-14(3)4)12-18-16(6)21-19-8-7-15(5)9-17(19)20(18)23/h7-9,13-14H,10-12H2,1-6H3,(H,21,23)
InChIKeyPIRUFSCHYUOPNF-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.26
Rot. Bonds6

About 3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one

3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one (PubChem CID 728856) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one
PubChem CID728856
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(C)c(CN(CC(C)C)CC(C)C)c(=O)c2c1
InChIInChI=1S/C20H30N2O/c1-13(2)10-22(11-14(3)4)12-18-16(6)21-19-8-7-15(5)9-17(19)20(18)23/h7-9,13-14H,10-12H2,1-6H3,(H,21,23)
InChIKeyPIRUFSCHYUOPNF-UHFFFAOYSA-N
XLogP4.26
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one?
The IUPAC name of 3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one (CID 728856) is 3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one is Cc1ccc2[nH]c(C)c(CN(CC(C)C)CC(C)C)c(=O)c2c1.
What is the InChIKey of 3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one?
The InChIKey is PIRUFSCHYUOPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-13(2)10-22(11-14(3)4)12-18-16(6)21-19-8-7-15(5)9-17(19)20(18)23/h7-9,13-14H,10-12H2,1-6H3,(H,21,23).
What are the key properties of 3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one?
3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one has a molecular weight of 314.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 728856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).