3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one

C16H22N2O — CID 84637230

IUPAC3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one
SMILESCC(C)c1ccc2c(c1)cc(CCCN)c(=O)n2C
InChIInChI=1S/C16H22N2O/c1-11(2)12-6-7-15-14(9-12)10-13(5-4-8-17)16(19)18(15)3/h6-7,9-11H,4-5,8,17H2,1-3H3
InChIKeyYIMMAZFNWZAVFG-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.55
Rot. Bonds4

About 3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one

3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one (PubChem CID 84637230) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one
PubChem CID84637230
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one
SMILESCC(C)c1ccc2c(c1)cc(CCCN)c(=O)n2C
InChIInChI=1S/C16H22N2O/c1-11(2)12-6-7-15-14(9-12)10-13(5-4-8-17)16(19)18(15)3/h6-7,9-11H,4-5,8,17H2,1-3H3
InChIKeyYIMMAZFNWZAVFG-UHFFFAOYSA-N
XLogP2.55
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile
CID 84629708
3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333928
3-(4-aminobutyl)-1,7-dimethylquinolin-2-one
CID 84631405
1-(1-methyl-5-propan-2-ylindol-2-yl)ethanamine
CID 84622419
3-(2-aminoethyl)-1,7-dimethylquinolin-2-one
CID 115029633
3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine
CID 83948594
3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 115031918
3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333924
4-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 96657410
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
CID 59333227
6-(4-amino-1-hydroxybutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341274
3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one
CID 178050308

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one?
The IUPAC name of 3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one (CID 84637230) is 3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one.
What is the SMILES notation for 3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one?
The canonical SMILES for 3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one is CC(C)c1ccc2c(c1)cc(CCCN)c(=O)n2C.
What is the InChIKey of 3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one?
The InChIKey is YIMMAZFNWZAVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)12-6-7-15-14(9-12)10-13(5-4-8-17)16(19)18(15)3/h6-7,9-11H,4-5,8,17H2,1-3H3.
What are the key properties of 3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one?
3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one has a molecular weight of 258.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one is sourced from PubChem (CID 84637230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).