(9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one

C21H15FN4O2 — CID 136676687

IUPAC(9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
SMILESO=C1C[C@H](c2ccc(O)cc2)c2c(ccc3nn(-c4ccc(F)cc4)nc23)N1
InChIInChI=1S/C21H15FN4O2/c22-13-3-5-14(6-4-13)26-24-18-10-9-17-20(21(18)25-26)16(11-19(28)23-17)12-1-7-15(27)8-2-12/h1-10,16,27H,11H2,(H,23,28)/t16-/m1/s1
InChIKeyPJKULKRULGJCTE-MRXNPFEDSA-N
MW374.38 g/mol
LogP3.74
Rot. Bonds2

About (9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one

(9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one (PubChem CID 136676687) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is (9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one.

Molecular Properties

Compound Name(9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
PubChem CID136676687
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name(9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
SMILESO=C1C[C@H](c2ccc(O)cc2)c2c(ccc3nn(-c4ccc(F)cc4)nc23)N1
InChIInChI=1S/C21H15FN4O2/c22-13-3-5-14(6-4-13)26-24-18-10-9-17-20(21(18)25-26)16(11-19(28)23-17)12-1-7-15(27)8-2-12/h1-10,16,27H,11H2,(H,23,28)/t16-/m1/s1
InChIKeyPJKULKRULGJCTE-MRXNPFEDSA-N
XLogP3.74
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one with MolForge

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Related Compounds

4-[(9R)-7-oxo-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-9-yl]benzoic acid
CID 136676705
(9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 136676654
(9R)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 136676655
(9R)-2-(3-chloro-4-methoxyphenyl)-9-(4-hydroxy-3-methoxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 136699424
(9S)-2-(3-chloro-4-methoxyphenyl)-9-(3-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 136676708
(7R)-3-(4-fluorophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719836
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135653312
(4S)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136920125
(9S)-9-(2-oxo-1H-quinolin-3-yl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 136676667
1-(4-fluorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2933284
(4R)-4-(4-fluorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136892937
2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 135636461

Frequently Asked Questions

What is the IUPAC name of (9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one?
The IUPAC name of (9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one (CID 136676687) is (9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one.
What is the SMILES notation for (9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one?
The canonical SMILES for (9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one is O=C1C[C@H](c2ccc(O)cc2)c2c(ccc3nn(-c4ccc(F)cc4)nc23)N1.
What is the InChIKey of (9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one?
The InChIKey is PJKULKRULGJCTE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H15FN4O2/c22-13-3-5-14(6-4-13)26-24-18-10-9-17-20(21(18)25-26)16(11-19(28)23-17)12-1-7-15(27)8-2-12/h1-10,16,27H,11H2,(H,23,28)/t16-/m1/s1.
What are the key properties of (9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one?
(9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one has a molecular weight of 374.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one is sourced from PubChem (CID 136676687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).