ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate

C22H24N2O3 — CID 1190137

IUPACethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(C)c(CN(C)Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C22H24N2O3/c1-4-27-22(26)17-10-11-20-18(12-17)21(25)19(15(2)23-20)14-24(3)13-16-8-6-5-7-9-16/h5-12H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyTWPAUDUGDSLCJF-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.65
Rot. Bonds6

About ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate

ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate (PubChem CID 1190137) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate
PubChem CID1190137
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Nameethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(C)c(CN(C)Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C22H24N2O3/c1-4-27-22(26)17-10-11-20-18(12-17)21(25)19(15(2)23-20)14-24(3)13-16-8-6-5-7-9-16/h5-12H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyTWPAUDUGDSLCJF-UHFFFAOYSA-N
XLogP3.65
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[benzyl(methyl)amino]methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one
CID 696542
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791
3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one
CID 1189507
ethyl 2-methyl-4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate
CID 4614042
2-(5-ethoxycarbonyl-2-methyl-1H-indol-3-yl)acetic acid
CID 21191839
methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 730971
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080433
benzyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 50888023
3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
CID 2240325
3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid
CID 7137933
3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
CID 1178704
6-O-ethyl 2-O-methyl 3-benzoyl-4-oxo-1H-quinoline-2,6-dicarboxylate
CID 1208018

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate (CID 1190137) is ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate is CCOC(=O)c1ccc2[nH]c(C)c(CN(C)Cc3ccccc3)c(=O)c2c1.
What is the InChIKey of ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate?
The InChIKey is TWPAUDUGDSLCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-27-22(26)17-10-11-20-18(12-17)21(25)19(15(2)23-20)14-24(3)13-16-8-6-5-7-9-16/h5-12H,4,13-14H2,1-3H3,(H,23,25).
What are the key properties of ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate?
ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 1190137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).