6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one

C23H19F3N6O2 — CID 118906015

IUPAC6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3ncc(C(F)(F)F)c(Nc4ccc5c(c4)CCC(=O)N5)n3)ccc2N1
InChIInChI=1S/C23H19F3N6O2/c24-23(25,26)16-11-27-22(29-15-4-6-18-13(10-15)2-8-20(34)31-18)32-21(16)28-14-3-5-17-12(9-14)1-7-19(33)30-17/h3-6,9-11H,1-2,7-8H2,(H,30,33)(H,31,34)(H2,27,28,29,32)
InChIKeyZTLTYIYGNNHZTK-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.75
Rot. Bonds4

About 6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one

6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118906015) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID118906015
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3ncc(C(F)(F)F)c(Nc4ccc5c(c4)CCC(=O)N5)n3)ccc2N1
InChIInChI=1S/C23H19F3N6O2/c24-23(25,26)16-11-27-22(29-15-4-6-18-13(10-15)2-8-20(34)31-18)32-21(16)28-14-3-5-17-12(9-14)1-7-19(33)30-17/h3-6,9-11H,1-2,7-8H2,(H,30,33)(H,31,34)(H2,27,28,29,32)
InChIKeyZTLTYIYGNNHZTK-UHFFFAOYSA-N
XLogP4.75
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 118906015) is 6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(Nc4ccc5c(c4)CCC(=O)N5)n3)ccc2N1.
What is the InChIKey of 6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZTLTYIYGNNHZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c24-23(25,26)16-11-27-22(29-15-4-6-18-13(10-15)2-8-20(34)31-18)32-21(16)28-14-3-5-17-12(9-14)1-7-19(33)30-17/h3-6,9-11H,1-2,7-8H2,(H,30,33)(H,31,34)(H2,27,28,29,32).
What are the key properties of 6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 468.44 g/mol, XLogP of 4.75, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118906015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).