5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one

C12H17N3O — CID 22449505

IUPAC5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one
SMILESCc1ccc(N)c2c1N(CCN)CCC2=O
InChIInChI=1S/C12H17N3O/c1-8-2-3-9(14)11-10(16)4-6-15(7-5-13)12(8)11/h2-3H,4-7,13-14H2,1H3
InChIKeySUIOTTSDGDFXEU-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.93
Rot. Bonds2

About 5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one

5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one (PubChem CID 22449505) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one
PubChem CID22449505
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one
SMILESCc1ccc(N)c2c1N(CCN)CCC2=O
InChIInChI=1S/C12H17N3O/c1-8-2-3-9(14)11-10(16)4-6-15(7-5-13)12(8)11/h2-3H,4-7,13-14H2,1H3
InChIKeySUIOTTSDGDFXEU-UHFFFAOYSA-N
XLogP0.93
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one (CID 22449505) is 5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one is Cc1ccc(N)c2c1N(CCN)CCC2=O.
What is the InChIKey of 5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is SUIOTTSDGDFXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-2-3-9(14)11-10(16)4-6-15(7-5-13)12(8)11/h2-3H,4-7,13-14H2,1H3.
What are the key properties of 5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one?
5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 219.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 22449505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).