(1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone

C25H22N4O — CID 25363059

IUPAC(1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESC[C@@H]1CCc2ccccc2N1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H22N4O/c1-18-16-17-19-10-8-9-15-22(19)28(18)25(30)23-26-24(20-11-4-2-5-12-20)29(27-23)21-13-6-3-7-14-21/h2-15,18H,16-17H2,1H3/t18-/m1/s1
InChIKeyCERCGFWPDYUOIP-GOSISDBHSA-N
MW394.48 g/mol
LogP4.92
Rot. Bonds3

About (1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone

(1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 25363059) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is (1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID25363059
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name(1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESC[C@@H]1CCc2ccccc2N1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H22N4O/c1-18-16-17-19-10-8-9-15-22(19)28(18)25(30)23-26-24(20-11-4-2-5-12-20)29(27-23)21-13-6-3-7-14-21/h2-15,18H,16-17H2,1H3/t18-/m1/s1
InChIKeyCERCGFWPDYUOIP-GOSISDBHSA-N
XLogP4.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Related Compounds

[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 99697362
(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 17486470
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62081386
[6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62239405
(3-bromo-2-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107517677
(4-amino-1,2,5-oxadiazol-3-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62686666
(1,5-diphenyl-1,2,4-triazol-3-yl)-(9-thia-3-azabicyclo[4.2.1]nonan-3-yl)methanone
CID 166246859
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 40987395
(2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 166219278
[5-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 104639658
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 26910878
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 7742106

Frequently Asked Questions

What is the IUPAC name of (1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 25363059) is (1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone is C[C@@H]1CCc2ccccc2N1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of (1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is CERCGFWPDYUOIP-GOSISDBHSA-N. The full InChI is InChI=1S/C25H22N4O/c1-18-16-17-19-10-8-9-15-22(19)28(18)25(30)23-26-24(20-11-4-2-5-12-20)29(27-23)21-13-6-3-7-14-21/h2-15,18H,16-17H2,1H3/t18-/m1/s1.
What are the key properties of (1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
(1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 394.48 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 25363059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).