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

C13H16F3N3O2 — CID 107478300

IUPAC6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1N(CCO)CC(F)(F)F)NC(=O)CC2
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)7-19(3-4-20)11-6-10-8(5-9(11)17)1-2-12(21)18-10/h5-6,20H,1-4,7,17H2,(H,18,21)
InChIKeyNUVRJUVZADEQOT-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.51
Rot. Bonds4

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

6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 107478300) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID107478300
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1N(CCO)CC(F)(F)F)NC(=O)CC2
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)7-19(3-4-20)11-6-10-8(5-9(11)17)1-2-12(21)18-10/h5-6,20H,1-4,7,17H2,(H,18,21)
InChIKeyNUVRJUVZADEQOT-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 107478300) is 6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1N(CCO)CC(F)(F)F)NC(=O)CC2.
What is the InChIKey of 6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NUVRJUVZADEQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)7-19(3-4-20)11-6-10-8(5-9(11)17)1-2-12(21)18-10/h5-6,20H,1-4,7,17H2,(H,18,21).
What are the key properties of 6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[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 6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 107478300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).