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

C14H13F3N4O — CID 56811492

IUPAC5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2Nc1nccc(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)
InChIKeyFBPUUBPCNGPBCX-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.67
Rot. Bonds2

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

5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 56811492) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID56811492
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC Name5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2Nc1nccc(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)
InChIKeyFBPUUBPCNGPBCX-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 56811492) is 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is FBPUUBPCNGPBCX-UHFFFAOYSA-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).
What are the key properties of 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
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 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 56811492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).