6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one

C12H17N3O — CID 82493883

IUPAC6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(CCN)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H17N3O/c1-15(7-6-13)10-3-4-11-9(8-10)2-5-12(16)14-11/h3-4,8H,2,5-7,13H2,1H3,(H,14,16)
InChIKeyMATIAABMWBKOQE-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.97
Rot. Bonds3

About 6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one

6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82493883) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82493883
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(CCN)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H17N3O/c1-15(7-6-13)10-3-4-11-9(8-10)2-5-12(16)14-11/h3-4,8H,2,5-7,13H2,1H3,(H,14,16)
InChIKeyMATIAABMWBKOQE-UHFFFAOYSA-N
XLogP0.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 82493883) is 6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one is CN(CCN)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MATIAABMWBKOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(7-6-13)10-3-4-11-9(8-10)2-5-12(16)14-11/h3-4,8H,2,5-7,13H2,1H3,(H,14,16).
What are the key properties of 6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82493883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).