methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate

C14H18N2O3 — CID 115190786

IUPACmethyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate
SMILESCNCCc1ccc2c(c1)CCC(=O)N2C(=O)OC
InChIInChI=1S/C14H18N2O3/c1-15-8-7-10-3-5-12-11(9-10)4-6-13(17)16(12)14(18)19-2/h3,5,9,15H,4,6-8H2,1-2H3
InChIKeyJHMHKPBXFHHIKL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.49
Rot. Bonds3

About methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate

methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate (PubChem CID 115190786) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate
PubChem CID115190786
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate
SMILESCNCCc1ccc2c(c1)CCC(=O)N2C(=O)OC
InChIInChI=1S/C14H18N2O3/c1-15-8-7-10-3-5-12-11(9-10)4-6-13(17)16(12)14(18)19-2/h3,5,9,15H,4,6-8H2,1-2H3
InChIKeyJHMHKPBXFHHIKL-UHFFFAOYSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide
CID 115193038
methyl 6-(aminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190559
methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190471
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
6-[2-(methylamino)ethyl]-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 117044162
6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid
CID 115170974
1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115197456
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
CID 115166541
2,2-dimethyl-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]propanamide
CID 110788697
6-(methylamino)-1-[3-(methylamino)propanoyl]-3,4-dihydroquinolin-2-one
CID 115153207
3-methoxy-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
CID 110788711

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate?
The IUPAC name of methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate (CID 115190786) is methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate.
What is the SMILES notation for methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate?
The canonical SMILES for methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate is CNCCc1ccc2c(c1)CCC(=O)N2C(=O)OC.
What is the InChIKey of methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate?
The InChIKey is JHMHKPBXFHHIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-8-7-10-3-5-12-11(9-10)4-6-13(17)16(12)14(18)19-2/h3,5,9,15H,4,6-8H2,1-2H3.
What are the key properties of methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate?
methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate is sourced from PubChem (CID 115190786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).