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

C18H17F3N4O2 — CID 118906230

IUPAC6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3ncc(C(F)(F)F)c(OC4CCC4)n3)ccc2N1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)13-9-22-17(25-16(13)27-12-2-1-3-12)23-11-5-6-14-10(8-11)4-7-15(26)24-14/h5-6,8-9,12H,1-4,7H2,(H,24,26)(H,22,23,25)
InChIKeySPTFBTHFDMTDPC-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.05
Rot. Bonds4

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

6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118906230) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID118906230
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3ncc(C(F)(F)F)c(OC4CCC4)n3)ccc2N1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)13-9-22-17(25-16(13)27-12-2-1-3-12)23-11-5-6-14-10(8-11)4-7-15(26)24-14/h5-6,8-9,12H,1-4,7H2,(H,24,26)(H,22,23,25)
InChIKeySPTFBTHFDMTDPC-UHFFFAOYSA-N
XLogP4.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 118906230) is 6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(OC4CCC4)n3)ccc2N1.
What is the InChIKey of 6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SPTFBTHFDMTDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)13-9-22-17(25-16(13)27-12-2-1-3-12)23-11-5-6-14-10(8-11)4-7-15(26)24-14/h5-6,8-9,12H,1-4,7H2,(H,24,26)(H,22,23,25).
What are the key properties of 6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 378.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-cyclobutyloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118906230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).