7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one

C60H36F9N9O5S — CID 169108158

IUPAC7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(-c3nccnc3Sc3ccc(C(F)(F)F)cc3)ccc12.O=c1cc[nH]c2cc(-c3cccnc3Oc3ccc(C(F)(F)F)cc3)ccc12.O=c1cc[nH]c2nc(-c3cccnc3Oc3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C21H13F3N2O2.C20H12F3N3O2.C19H11F3N4OS/c22-21(23,24)14-4-6-15(7-5-14)28-20-16(2-1-10-26-20)13-3-8-17-18(12-13)25-11-9-19(17)27;21-20(22,23)12-3-5-13(6-4-12)28-19-14(2-1-10-25-19)16-8-7-15-17(27)9-11-24-18(15)26-16;20-19(21,22)12-2-4-13(5-3-12)28-18-16(23-7-8-24-18)11-1-6-14-15(9-11)25-10-26-17(14)27/h1-12H,(H,25,27);1-11H,(H,24,26,27);1-10H,(H,25,26,27)
InChIKeySURSMYMAGGOMFO-UHFFFAOYSA-N
MW1166.05 g/mol
LogP14.75
Rot. Bonds9

About 7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one

7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one (PubChem CID 169108158) has the molecular formula C60H36F9N9O5S and a molecular weight of 1166.05 g/mol. Its IUPAC name is 7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one
PubChem CID169108158
Molecular FormulaC60H36F9N9O5S
Molecular Weight1166.05 g/mol
Exact Mass1165.24
IUPAC Name7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(-c3nccnc3Sc3ccc(C(F)(F)F)cc3)ccc12.O=c1cc[nH]c2cc(-c3cccnc3Oc3ccc(C(F)(F)F)cc3)ccc12.O=c1cc[nH]c2nc(-c3cccnc3Oc3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C21H13F3N2O2.C20H12F3N3O2.C19H11F3N4OS/c22-21(23,24)14-4-6-15(7-5-14)28-20-16(2-1-10-26-20)13-3-8-17-18(12-13)25-11-9-19(17)27;21-20(22,23)12-3-5-13(6-4-12)28-19-14(2-1-10-25-19)16-8-7-15-17(27)9-11-24-18(15)26-16;20-19(21,22)12-2-4-13(5-3-12)28-18-16(23-7-8-24-18)11-1-6-14-15(9-11)25-10-26-17(14)27/h1-12H,(H,25,27);1-11H,(H,24,26,27);1-10H,(H,25,26,27)
InChIKeySURSMYMAGGOMFO-UHFFFAOYSA-N
XLogP14.75
TPSA194.38 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001166.05
LogP ≤ 514.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one with MolForge

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Related Compounds

7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen
CID 161173088
1-Methyl-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]quinolin-4-one;1-methyl-7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]quinazolin-4-one
CID 169107969
N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one
CID 169108122
2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-lambda6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one
CID 169108219
2-[6-(4-oxo-1H-quinazolin-7-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[5-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-2-yl]-2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one
CID 170079523
1-Methyl-7-[6-[1-methyl-4-oxo-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]quinolin-2-yl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]quinazolin-4-one
CID 170079524

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one (CID 169108158) is 7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one is O=c1[nH]cnc2cc(-c3nccnc3Sc3ccc(C(F)(F)F)cc3)ccc12.O=c1cc[nH]c2cc(-c3cccnc3Oc3ccc(C(F)(F)F)cc3)ccc12.O=c1cc[nH]c2nc(-c3cccnc3Oc3ccc(C(F)(F)F)cc3)ccc12.
What is the InChIKey of 7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one?
The InChIKey is SURSMYMAGGOMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O2.C20H12F3N3O2.C19H11F3N4OS/c22-21(23,24)14-4-6-15(7-5-14)28-20-16(2-1-10-26-20)13-3-8-17-18(12-13)25-11-9-19(17)27;21-20(22,23)12-3-5-13(6-4-12)28-19-14(2-1-10-25-19)16-8-7-15-17(27)9-11-24-18(15)26-16;20-19(21,22)12-2-4-13(5-3-12)28-18-16(23-7-8-24-18)11-1-6-14-15(9-11)25-10-26-17(14)27/h1-12H,(H,25,27);1-11H,(H,24,26,27);1-10H,(H,25,26,27).
What are the key properties of 7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one?
7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one has a molecular weight of 1166.05 g/mol, XLogP of 14.75, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-quinolin-4-one;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 169108158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).