5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

C20H25N3O2 — CID 54559605

IUPAC5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(CCOc1cccc2c1CCC(=O)N2)CCc1ccc(N)cc1
InChIInChI=1S/C20H25N3O2/c1-23(12-11-15-5-7-16(21)8-6-15)13-14-25-19-4-2-3-18-17(19)9-10-20(24)22-18/h2-8H,9-14,21H2,1H3,(H,22,24)
InChIKeyZPPMBMWCYIZDSD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.71
Rot. Bonds7

About 5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 54559605) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID54559605
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(CCOc1cccc2c1CCC(=O)N2)CCc1ccc(N)cc1
InChIInChI=1S/C20H25N3O2/c1-23(12-11-15-5-7-16(21)8-6-15)13-14-25-19-4-2-3-18-17(19)9-10-20(24)22-18/h2-8H,9-14,21H2,1H3,(H,22,24)
InChIKeyZPPMBMWCYIZDSD-UHFFFAOYSA-N
XLogP2.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Carteolol
CID 2583
Carteolol Hydrochloride
CID 40127
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7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
Ucm1014
CID 121231413
Ketopiperazine-based inhibitor, 11
CID 11204336
Tetra-hydro-isoquinoline derivative 3
CID 137653313
2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
CID 9883070
7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10502413
4-[2-(4-Phenyl-butylamino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10520031
4-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethoxy]-7-fluoro-1,3-dihydro-indol-2-one
CID 10592220
4-[2-(Benzyl-methyl-amino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10661630

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 54559605) is 5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is CN(CCOc1cccc2c1CCC(=O)N2)CCc1ccc(N)cc1.
What is the InChIKey of 5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZPPMBMWCYIZDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-23(12-11-15-5-7-16(21)8-6-15)13-14-25-19-4-2-3-18-17(19)9-10-20(24)22-18/h2-8H,9-14,21H2,1H3,(H,22,24).
What are the key properties of 5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 54559605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).