6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid

C14H19F3N2O3 — CID 118744520

IUPAC6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
SMILESCC(C)NC1CCc2[nH]c(=O)ccc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H18N2O.C2HF3O2/c1-8(2)13-10-4-5-11-9(7-10)3-6-12(15)14-11;3-2(4,5)1(6)7/h3,6,8,10,13H,4-5,7H2,1-2H3,(H,14,15);(H,6,7)
InChIKeyHGXVTRJWSORWMH-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.86
Rot. Bonds2

About 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid

6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 118744520) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
PubChem CID118744520
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
SMILESCC(C)NC1CCc2[nH]c(=O)ccc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H18N2O.C2HF3O2/c1-8(2)13-10-4-5-11-9(7-10)3-6-12(15)14-11;3-2(4,5)1(6)7/h3,6,8,10,13H,4-5,7H2,1-2H3,(H,14,15);(H,6,7)
InChIKeyHGXVTRJWSORWMH-UHFFFAOYSA-N
XLogP1.86
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid (CID 118744520) is 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid is CC(C)NC1CCc2[nH]c(=O)ccc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is HGXVTRJWSORWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C2HF3O2/c1-8(2)13-10-4-5-11-9(7-10)3-6-12(15)14-11;3-2(4,5)1(6)7/h3,6,8,10,13H,4-5,7H2,1-2H3,(H,14,15);(H,6,7).
What are the key properties of 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid?
6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 320.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).