6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one

C15H12F3N3O — CID 86342400

IUPAC6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3cc(C(F)(F)F)ccn3)ccc2N1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)10-5-6-19-13(8-10)20-11-2-3-12-9(7-11)1-4-14(22)21-12/h2-3,5-8H,1,4H2,(H,19,20)(H,21,22)
InChIKeyMVUQSTFPWSJSSY-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.73
Rot. Bonds2

About 6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one

6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 86342400) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID86342400
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3cc(C(F)(F)F)ccn3)ccc2N1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)10-5-6-19-13(8-10)20-11-2-3-12-9(7-11)1-4-14(22)21-12/h2-3,5-8H,1,4H2,(H,19,20)(H,21,22)
InChIKeyMVUQSTFPWSJSSY-UHFFFAOYSA-N
XLogP3.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 86342400) is 6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Nc3cc(C(F)(F)F)ccn3)ccc2N1.
What is the InChIKey of 6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MVUQSTFPWSJSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-15(17,18)10-5-6-19-13(8-10)20-11-2-3-12-9(7-11)1-4-14(22)21-12/h2-3,5-8H,1,4H2,(H,19,20)(H,21,22).
What are the key properties of 6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 307.28 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 86342400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).