(5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C14H13F3N4O — CID 94006074

IUPAC(5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC[C@@H]2Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H13F3N4O/c15-14(16,17)11-6-7-18-13(21-11)20-10-3-1-2-9-8(10)4-5-12(22)19-9/h4-7,10H,1-3H2,(H,19,22)(H,18,20,21)/t10-/m0/s1
InChIKeyFBPUUBPCNGPBCX-JTQLQIEISA-N
MW310.28 g/mol
LogP2.67
Rot. Bonds2

About (5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

(5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 94006074) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is (5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID94006074
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC Name(5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC[C@@H]2Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H13F3N4O/c15-14(16,17)11-6-7-18-13(21-11)20-10-3-1-2-9-8(10)4-5-12(22)19-9/h4-7,10H,1-3H2,(H,19,22)(H,18,20,21)/t10-/m0/s1
InChIKeyFBPUUBPCNGPBCX-JTQLQIEISA-N
XLogP2.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-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 (5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of (5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 94006074) is (5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for (5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for (5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCC[C@@H]2Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of (5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is FBPUUBPCNGPBCX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13F3N4O/c15-14(16,17)11-6-7-18-13(21-11)20-10-3-1-2-9-8(10)4-5-12(22)19-9/h4-7,10H,1-3H2,(H,19,22)(H,18,20,21)/t10-/m0/s1.
What are the key properties of (5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
(5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 310.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 94006074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).