2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide

C15H19N3O2 — CID 63021327

IUPAC2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)c(CN)cc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-2-7-17-14(19)10-18-13-6-4-3-5-11(13)8-12(9-16)15(18)20/h3-6,8H,2,7,9-10,16H2,1H3,(H,17,19)
InChIKeyOCXSGGRWDGYMAK-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.99
Rot. Bonds5

About 2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide

2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide (PubChem CID 63021327) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide
PubChem CID63021327
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)c(CN)cc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-2-7-17-14(19)10-18-13-6-4-3-5-11(13)8-12(9-16)15(18)20/h3-6,8H,2,7,9-10,16H2,1H3,(H,17,19)
InChIKeyOCXSGGRWDGYMAK-UHFFFAOYSA-N
XLogP0.99
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide
CID 107073215
3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one
CID 63019050
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one
CID 65096820
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
3-(2-aminoethyl)-1-ethylquinolin-2-one
CID 102537317
3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one
CID 63196079
1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide
CID 55959738
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide
CID 51046763
N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 36907060
2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
CID 82067163
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide (CID 63021327) is 2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide is CCCNC(=O)Cn1c(=O)c(CN)cc2ccccc21.
What is the InChIKey of 2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide?
The InChIKey is OCXSGGRWDGYMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-7-17-14(19)10-18-13-6-4-3-5-11(13)8-12(9-16)15(18)20/h3-6,8H,2,7,9-10,16H2,1H3,(H,17,19).
What are the key properties of 2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide?
2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide has a molecular weight of 273.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide is sourced from PubChem (CID 63021327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).