3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one

C21H17N5O — CID 46989276

IUPAC3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one
SMILESCc1nc(CC2NC(=O)c3ccccc32)n(-c2cccc3cccnc23)n1
InChIInChI=1S/C21H17N5O/c1-13-23-19(12-17-15-8-2-3-9-16(15)21(27)24-17)26(25-13)18-10-4-6-14-7-5-11-22-20(14)18/h2-11,17H,12H2,1H3,(H,24,27)
InChIKeyHNPSJNHJXNURRF-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.15
Rot. Bonds3

About 3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one

3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one (PubChem CID 46989276) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one
PubChem CID46989276
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one
SMILESCc1nc(CC2NC(=O)c3ccccc32)n(-c2cccc3cccnc23)n1
InChIInChI=1S/C21H17N5O/c1-13-23-19(12-17-15-8-2-3-9-16(15)21(27)24-17)26(25-13)18-10-4-6-14-7-5-11-22-20(14)18/h2-11,17H,12H2,1H3,(H,24,27)
InChIKeyHNPSJNHJXNURRF-UHFFFAOYSA-N
XLogP3.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]-2,3-dihydroisoindol-1-one
CID 95134967
N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 46991106
4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one
CID 134847462
8-(3-methyl-1,2,4-triazol-1-yl)quinoline
CID 166607439
8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline
CID 50953775
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide
CID 110206722
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-nitropyridine
CID 135041627
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026
3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 45166050
8-cyclopropylquinoline
CID 66823369

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one (CID 46989276) is 3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one is Cc1nc(CC2NC(=O)c3ccccc32)n(-c2cccc3cccnc23)n1.
What is the InChIKey of 3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one?
The InChIKey is HNPSJNHJXNURRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-13-23-19(12-17-15-8-2-3-9-16(15)21(27)24-17)26(25-13)18-10-4-6-14-7-5-11-22-20(14)18/h2-11,17H,12H2,1H3,(H,24,27).
What are the key properties of 3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one?
3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one has a molecular weight of 355.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 46989276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).