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

C34H30F6N10O2 — CID 138563706

IUPAC6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C2CC(=O)Nc3ccc(Nc4nc(NC5CC5)ncc4C(F)(F)F)cc32)c2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)ccc2N1
InChIInChI=1S/C34H30F6N10O2/c35-33(36,37)23-13-42-32(49-29(23)43-15-1-2-15)46-18-6-8-26-22(10-18)20(12-28(52)48-26)19-11-27(51)47-25-7-5-17(9-21(19)25)44-30-24(34(38,39)40)14-41-31(50-30)45-16-3-4-16/h5-10,13-16,19-20H,1-4,11-12H2,(H,47,51)(H,48,52)(H2,41,44,45,50)(H2,42,43,46,49)
InChIKeyIKOJERRKNZJZTR-UHFFFAOYSA-N
MW724.67 g/mol
LogP7.49
Rot. Bonds9

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

6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 138563706) has the molecular formula C34H30F6N10O2 and a molecular weight of 724.67 g/mol. Its IUPAC name is 6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID138563706
Molecular FormulaC34H30F6N10O2
Molecular Weight724.67 g/mol
Exact Mass724.25
IUPAC Name6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C2CC(=O)Nc3ccc(Nc4nc(NC5CC5)ncc4C(F)(F)F)cc32)c2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)ccc2N1
InChIInChI=1S/C34H30F6N10O2/c35-33(36,37)23-13-42-32(49-29(23)43-15-1-2-15)46-18-6-8-26-22(10-18)20(12-28(52)48-26)19-11-27(51)47-25-7-5-17(9-21(19)25)44-30-24(34(38,39)40)14-41-31(50-30)45-16-3-4-16/h5-10,13-16,19-20H,1-4,11-12H2,(H,47,51)(H,48,52)(H2,41,44,45,50)(H2,42,43,46,49)
InChIKeyIKOJERRKNZJZTR-UHFFFAOYSA-N
XLogP7.49
TPSA157.88 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500724.67
LogP ≤ 57.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 138563706) is 6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CC(C2CC(=O)Nc3ccc(Nc4nc(NC5CC5)ncc4C(F)(F)F)cc32)c2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)ccc2N1.
What is the InChIKey of 6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IKOJERRKNZJZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F6N10O2/c35-33(36,37)23-13-42-32(49-29(23)43-15-1-2-15)46-18-6-8-26-22(10-18)20(12-28(52)48-26)19-11-27(51)47-25-7-5-17(9-21(19)25)44-30-24(34(38,39)40)14-41-31(50-30)45-16-3-4-16/h5-10,13-16,19-20H,1-4,11-12H2,(H,47,51)(H,48,52)(H2,41,44,45,50)(H2,42,43,46,49).
What are the key properties of 6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 724.67 g/mol, XLogP of 7.49, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-[6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 138563706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).