3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one

C23H28N2O2 — CID 2240325

IUPAC3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
SMILESCCCCN(C)Cc1c(C)[nH]c2ccc(OCc3ccccc3)cc2c1=O
InChIInChI=1S/C23H28N2O2/c1-4-5-13-25(3)15-21-17(2)24-22-12-11-19(14-20(22)23(21)26)27-16-18-9-7-6-8-10-18/h6-12,14H,4-5,13,15-16H2,1-3H3,(H,24,26)
InChIKeyHNQFKXFEESLNQP-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.65
Rot. Bonds8

About 3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one

3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one (PubChem CID 2240325) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
PubChem CID2240325
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
SMILESCCCCN(C)Cc1c(C)[nH]c2ccc(OCc3ccccc3)cc2c1=O
InChIInChI=1S/C23H28N2O2/c1-4-5-13-25(3)15-21-17(2)24-22-12-11-19(14-20(22)23(21)26)27-16-18-9-7-6-8-10-18/h6-12,14H,4-5,13,15-16H2,1-3H3,(H,24,26)
InChIKeyHNQFKXFEESLNQP-UHFFFAOYSA-N
XLogP4.65
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
CID 2240333
3-[[benzyl(methyl)amino]methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one
CID 696542
3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one
CID 1189507
ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 1190137
(6-butoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
CID 3433637
3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
CID 608539
2-octoxy-10H-acridin-9-one
CID 611041
(2E)-2-(1-hydroxypentylidene)-5,5-dimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylimino]cyclohexan-1-one
CID 135497461
6-butoxy-2-methyl-4-oxo-1H-quinoline-3-carbonitrile
CID 82245502
4-butoxy-3-octoxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139718526
N-[[5-[(4-ethynylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine
CID 158690966
2-(1-hydroxypentylidene)-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylimino]-5-phenylcyclohexan-1-one
CID 135456935

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one?
The IUPAC name of 3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one (CID 2240325) is 3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one?
The canonical SMILES for 3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one is CCCCN(C)Cc1c(C)[nH]c2ccc(OCc3ccccc3)cc2c1=O.
What is the InChIKey of 3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one?
The InChIKey is HNQFKXFEESLNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-5-13-25(3)15-21-17(2)24-22-12-11-19(14-20(22)23(21)26)27-16-18-9-7-6-8-10-18/h6-12,14H,4-5,13,15-16H2,1-3H3,(H,24,26).
What are the key properties of 3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one?
3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one has a molecular weight of 364.49 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one is sourced from PubChem (CID 2240325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).