methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate

C17H22N2O3 — CID 730971

IUPACmethyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate
SMILESCCN(CC)Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O
InChIInChI=1S/C17H22N2O3/c1-5-19(6-2)10-14-11(3)18-15-8-7-12(17(21)22-4)9-13(15)16(14)20/h7-9H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyGDEJAPBEIRTCHP-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.46
Rot. Bonds5

About methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate

methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate (PubChem CID 730971) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate
PubChem CID730971
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namemethyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate
SMILESCCN(CC)Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O
InChIInChI=1S/C17H22N2O3/c1-5-19(6-2)10-14-11(3)18-15-8-7-12(17(21)22-4)9-13(15)16(14)20/h7-9H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyGDEJAPBEIRTCHP-UHFFFAOYSA-N
XLogP2.46
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
dibutyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 6995828
3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid
CID 7137933
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791
butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 5014178
methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 730968
methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 730962
ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 1190137
methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 4605637
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
ethyl 2-methyl-4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate
CID 4614042
methyl 3-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxylate
CID 69324670

Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate (CID 730971) is methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate is CCN(CC)Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O.
What is the InChIKey of methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate?
The InChIKey is GDEJAPBEIRTCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-19(6-2)10-14-11(3)18-15-8-7-12(17(21)22-4)9-13(15)16(14)20/h7-9H,5-6,10H2,1-4H3,(H,18,20).
What are the key properties of methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate?
methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 730971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).