6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one

C14H18N2O2 — CID 115234864

IUPAC6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
SMILESCNCc1ccc2c(c1)CCC(=O)N2CC(C)=O
InChIInChI=1S/C14H18N2O2/c1-10(17)9-16-13-5-3-11(8-15-2)7-12(13)4-6-14(16)18/h3,5,7,15H,4,6,8-9H2,1-2H3
InChIKeyKTPACWHIEAXRTN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.27
Rot. Bonds4

About 6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one

6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one (PubChem CID 115234864) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
PubChem CID115234864
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
SMILESCNCc1ccc2c(c1)CCC(=O)N2CC(C)=O
InChIInChI=1S/C14H18N2O2/c1-10(17)9-16-13-5-3-11(8-15-2)7-12(13)4-6-14(16)18/h3,5,7,15H,4,6,8-9H2,1-2H3
InChIKeyKTPACWHIEAXRTN-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 115218053
5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one
CID 115234861
6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid
CID 115170974
1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
CID 115119844
6-methylsulfanyl-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
CID 139885156
1,5-bis(methylaminomethyl)-3H-indol-2-one
CID 115226998
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
CID 117039999
1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 115262042
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033
6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one
CID 115235513

Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one (CID 115234864) is 6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one is CNCc1ccc2c(c1)CCC(=O)N2CC(C)=O.
What is the InChIKey of 6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one?
The InChIKey is KTPACWHIEAXRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(17)9-16-13-5-3-11(8-15-2)7-12(13)4-6-14(16)18/h3,5,7,15H,4,6,8-9H2,1-2H3.
What are the key properties of 6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one?
6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115234864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).