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

C14H21N3O — CID 117039999

IUPAC1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
SMILESCNCc1ccc2c(c1)CCC(=O)N2C(C)CN
InChIInChI=1S/C14H21N3O/c1-10(8-15)17-13-5-3-11(9-16-2)7-12(13)4-6-14(17)18/h3,5,7,10,16H,4,6,8-9,15H2,1-2H3
InChIKeyQNTLTYCBOPSGBM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.03
Rot. Bonds4

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

1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one (PubChem CID 117039999) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
PubChem CID117039999
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
SMILESCNCc1ccc2c(c1)CCC(=O)N2C(C)CN
InChIInChI=1S/C14H21N3O/c1-10(8-15)17-13-5-3-11(9-16-2)7-12(13)4-6-14(17)18/h3,5,7,10,16H,4,6,8-9,15H2,1-2H3
InChIKeyQNTLTYCBOPSGBM-UHFFFAOYSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one
CID 117040081
1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
CID 115119844
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
2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 115218053
6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
CID 115234864
1,5-bis(methylaminomethyl)-3H-indol-2-one
CID 115226998
5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115138117
6-[[(1-aminocyclopropyl)methylamino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115256654
1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 115262042
6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82190766
6-(aminomethyl)-4-(1-aminopropan-2-yl)-1,4-benzoxazin-3-one
CID 117039962

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one (CID 117039999) is 1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one is CNCc1ccc2c(c1)CCC(=O)N2C(C)CN.
What is the InChIKey of 1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is QNTLTYCBOPSGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(8-15)17-13-5-3-11(9-16-2)7-12(13)4-6-14(17)18/h3,5,7,10,16H,4,6,8-9,15H2,1-2H3.
What are the key properties of 1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one?
1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117039999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).