(9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one

C23H20N4O3 — CID 136676654

IUPAC(9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
SMILESCOc1ccc([C@@H]2CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c32)cc1OC
InChIInChI=1S/C23H20N4O3/c1-29-19-11-8-14(12-20(19)30-2)16-13-21(28)24-17-9-10-18-23(22(16)17)26-27(25-18)15-6-4-3-5-7-15/h3-12,16H,13H2,1-2H3,(H,24,28)/t16-/m0/s1
InChIKeyBBDMZUWBYMCCOH-INIZCTEOSA-N
MW400.44 g/mol
LogP3.91
Rot. Bonds4

About (9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one

(9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one (PubChem CID 136676654) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is (9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one.

Molecular Properties

Compound Name(9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
PubChem CID136676654
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name(9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
SMILESCOc1ccc([C@@H]2CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c32)cc1OC
InChIInChI=1S/C23H20N4O3/c1-29-19-11-8-14(12-20(19)30-2)16-13-21(28)24-17-9-10-18-23(22(16)17)26-27(25-18)15-6-4-3-5-7-15/h3-12,16H,13H2,1-2H3,(H,24,28)/t16-/m0/s1
InChIKeyBBDMZUWBYMCCOH-INIZCTEOSA-N
XLogP3.91
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one with MolForge

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Related Compounds

(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
4-[(9R)-7-oxo-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-9-yl]benzoic acid
CID 136676705
(9S)-2-(3-chloro-4-methoxyphenyl)-9-(3-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 136676708
2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 135636461
(4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135873552
(9S)-9-(2-oxo-1H-quinolin-3-yl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 136676667
(9R)-2-(4-fluorophenyl)-9-(4-hydroxyphenyl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 136676687
(4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909827
(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2234146
1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 19590580
(7S)-7-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720187

Frequently Asked Questions

What is the IUPAC name of (9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one?
The IUPAC name of (9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one (CID 136676654) is (9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one.
What is the SMILES notation for (9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one?
The canonical SMILES for (9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one is COc1ccc([C@@H]2CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c32)cc1OC.
What is the InChIKey of (9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one?
The InChIKey is BBDMZUWBYMCCOH-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-29-19-11-8-14(12-20(19)30-2)16-13-21(28)24-17-9-10-18-23(22(16)17)26-27(25-18)15-6-4-3-5-7-15/h3-12,16H,13H2,1-2H3,(H,24,28)/t16-/m0/s1.
What are the key properties of (9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one?
(9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one has a molecular weight of 400.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-(3,4-dimethoxyphenyl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one is sourced from PubChem (CID 136676654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).