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

C13H18N2O — CID 82190766

IUPAC6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(N)Cc1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C13H18N2O/c1-9(14)7-10-3-5-12-11(8-10)4-6-13(16)15(12)2/h3,5,8-9H,4,6-7,14H2,1-2H3
InChIKeyQNIDLWNQTYZMKS-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.49
Rot. Bonds2

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

6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 82190766) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID82190766
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(N)Cc1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C13H18N2O/c1-9(14)7-10-3-5-12-11(8-10)4-6-13(16)15(12)2/h3,5,8-9H,4,6-7,14H2,1-2H3
InChIKeyQNIDLWNQTYZMKS-UHFFFAOYSA-N
XLogP1.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 82479603
1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
CID 116932140
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116928650
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 82471110
6-(4-aminopentanoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116916203
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 82341039
3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106687

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 82190766) is 6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one is CC(N)Cc1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is QNIDLWNQTYZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(14)7-10-3-5-12-11(8-10)4-6-13(16)15(12)2/h3,5,8-9H,4,6-7,14H2,1-2H3.
What are the key properties of 6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82190766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).