6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one

C24H30N2O — CID 20931343

IUPAC6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one
SMILESCc1ccc(CN(Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)CC(C)C)cc1
InChIInChI=1S/C24H30N2O/c1-16(2)13-26(14-20-8-6-17(3)7-9-20)15-21-12-23(27)22-11-18(4)10-19(5)24(22)25-21/h6-12,16H,13-15H2,1-5H3,(H,25,27)
InChIKeyZPAANFQBRREVRU-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.11
Rot. Bonds6

About 6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one

6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one (PubChem CID 20931343) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one
PubChem CID20931343
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one
SMILESCc1ccc(CN(Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)CC(C)C)cc1
InChIInChI=1S/C24H30N2O/c1-16(2)13-26(14-20-8-6-17(3)7-9-20)15-21-12-23(27)22-11-18(4)10-19(5)24(22)25-21/h6-12,16H,13-15H2,1-5H3,(H,25,27)
InChIKeyZPAANFQBRREVRU-UHFFFAOYSA-N
XLogP5.11
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one (CID 20931343) is 6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one is Cc1ccc(CN(Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)CC(C)C)cc1.
What is the InChIKey of 6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one?
The InChIKey is ZPAANFQBRREVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-16(2)13-26(14-20-8-6-17(3)7-9-20)15-21-12-23(27)22-11-18(4)10-19(5)24(22)25-21/h6-12,16H,13-15H2,1-5H3,(H,25,27).
What are the key properties of 6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one?
6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one has a molecular weight of 362.52 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 20931343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).