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

C13H16F3N3O2 — CID 107478389

IUPAC7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1N(CCO)CC(F)(F)F)CCC(=O)N2
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)7-19(3-4-20)11-5-8-1-2-12(21)18-10(8)6-9(11)17/h5-6,20H,1-4,7,17H2,(H,18,21)
InChIKeyHCGBVXANIDAICC-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.51
Rot. Bonds4

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

7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 107478389) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID107478389
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1N(CCO)CC(F)(F)F)CCC(=O)N2
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)7-19(3-4-20)11-5-8-1-2-12(21)18-10(8)6-9(11)17/h5-6,20H,1-4,7,17H2,(H,18,21)
InChIKeyHCGBVXANIDAICC-UHFFFAOYSA-N
XLogP1.51
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-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 7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 107478389) is 7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1N(CCO)CC(F)(F)F)CCC(=O)N2.
What is the InChIKey of 7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HCGBVXANIDAICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)7-19(3-4-20)11-5-8-1-2-12(21)18-10(8)6-9(11)17/h5-6,20H,1-4,7,17H2,(H,18,21).
What are the key properties of 7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 303.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 107478389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).