6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one

C13H16F3N3O2 — CID 63827104

IUPAC6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NCCOCC(F)(F)F)NC(=O)CC2
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)7-21-4-3-18-11-6-10-8(5-9(11)17)1-2-12(20)19-10/h5-6,18H,1-4,7,17H2,(H,19,20)
InChIKeyBEUILNWDYBWDJM-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.14
Rot. Bonds5

About 6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one

6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 63827104) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID63827104
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NCCOCC(F)(F)F)NC(=O)CC2
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)7-21-4-3-18-11-6-10-8(5-9(11)17)1-2-12(20)19-10/h5-6,18H,1-4,7,17H2,(H,19,20)
InChIKeyBEUILNWDYBWDJM-UHFFFAOYSA-N
XLogP2.14
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one (CID 63827104) is 6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1NCCOCC(F)(F)F)NC(=O)CC2.
What is the InChIKey of 6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BEUILNWDYBWDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)7-21-4-3-18-11-6-10-8(5-9(11)17)1-2-12(20)19-10/h5-6,18H,1-4,7,17H2,(H,19,20).
What are the key properties of 6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 303.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 63827104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).