6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one

C13H19N3O — CID 116932774

IUPAC6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)CCN)ccc21
InChIInChI=1S/C13H19N3O/c1-16-12-4-2-9(11(15)6-7-14)8-10(12)3-5-13(16)17/h2,4,8,11H,3,5-7,14-15H2,1H3
InChIKeyPMNKCILEDGZFDN-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.94
Rot. Bonds3

About 6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 116932774) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID116932774
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)CCN)ccc21
InChIInChI=1S/C13H19N3O/c1-16-12-4-2-9(11(15)6-7-14)8-10(12)3-5-13(16)17/h2,4,8,11H,3,5-7,14-15H2,1H3
InChIKeyPMNKCILEDGZFDN-UHFFFAOYSA-N
XLogP0.94
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 116851226
methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate
CID 116940125
6-(1-amino-2-cyclopentylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104828
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199
6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82291111
6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116855688
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106881
6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116942089
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 116932774) is 6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(N)CCN)ccc21.
What is the InChIKey of 6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is PMNKCILEDGZFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16-12-4-2-9(11(15)6-7-14)8-10(12)3-5-13(16)17/h2,4,8,11H,3,5-7,14-15H2,1H3.
What are the key properties of 6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116932774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).