7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one

C18H14F4N6O — CID 167859299

IUPAC7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3nnnn3-c3ccc(C(F)(F)F)cc3)c(F)cc2N1
InChIInChI=1S/C18H14F4N6O/c19-13-8-14-10(1-6-17(29)24-14)7-15(13)23-9-16-25-26-27-28(16)12-4-2-11(3-5-12)18(20,21)22/h2-5,7-8,23H,1,6,9H2,(H,24,29)
InChIKeyJEHIMDVPVIBGTJ-UHFFFAOYSA-N
MW406.34 g/mol
LogP3.32
Rot. Bonds4

About 7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 167859299) has the molecular formula C18H14F4N6O and a molecular weight of 406.34 g/mol. Its IUPAC name is 7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID167859299
Molecular FormulaC18H14F4N6O
Molecular Weight406.34 g/mol
Exact Mass406.12
IUPAC Name7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3nnnn3-c3ccc(C(F)(F)F)cc3)c(F)cc2N1
InChIInChI=1S/C18H14F4N6O/c19-13-8-14-10(1-6-17(29)24-14)7-15(13)23-9-16-25-26-27-28(16)12-4-2-11(3-5-12)18(20,21)22/h2-5,7-8,23H,1,6,9H2,(H,24,29)
InChIKeyJEHIMDVPVIBGTJ-UHFFFAOYSA-N
XLogP3.32
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 126815508
2-methyl-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]benzamide
CID 87029571
2-chloro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-4-(trifluoromethyl)aniline
CID 55989209
[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethyl] 1-(4-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxylate
CID 166204591
7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 126785303
6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723900
7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 66133394
6-fluoro-7-[(3-methylimidazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 66116626
6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723892
6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 99701593
7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 115938007
6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104821910

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 167859299) is 7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(NCc3nnnn3-c3ccc(C(F)(F)F)cc3)c(F)cc2N1.
What is the InChIKey of 7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JEHIMDVPVIBGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N6O/c19-13-8-14-10(1-6-17(29)24-14)7-15(13)23-9-16-25-26-27-28(16)12-4-2-11(3-5-12)18(20,21)22/h2-5,7-8,23H,1,6,9H2,(H,24,29).
What are the key properties of 7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 406.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 167859299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).