bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

C143H183N21O5S2 — CID 158600228

IUPACbis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCN1CC=Cc2ccccc21.CN1CCCc2ccccc21.CN1CCCc2ccccc21.CN1CCOc2ccccc21.CN1CCOc2ccccc21.CN1CCS(=O)(=O)c2ccccc21.CN1CCc2[nH]ccc2C1.CN1CCc2ccccc21.CN1CCc2ccccc2C1.CN1CCc2cccnc2C1.CN1CCc2ncccc2C1.CN1CCc2occc2C1.CN1CCc2sccc2C1.CN1Cc2ccccc2C1.CN1Cc2cccnc2C1.CN1Cc2cccnc2C1
InChIInChI=1S/2C10H13N.C10H11N.C10H13N.2C9H12N2.C9H11NO2S.2C9H11NO.2C9H11N.C8H12N2.2C8H10N2.C8H11NO.C8H11NS/c3*1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-11-6-4-9-8(7-11)3-2-5-10-9;1-11-6-4-8-3-2-5-10-9(8)7-11;1-10-6-7-13(11,12)9-5-3-2-4-8(9)10;2*1-10-6-7-11-9-5-3-2-4-8(9)10;1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-6-8-4-2-3-5-9(8)10;1-10-5-3-8-7(6-10)2-4-9-8;2*1-10-5-7-3-2-4-9-8(7)6-10;2*1-9-4-2-8-7(6-9)3-5-10-8/h2*2-3,5,7H,4,6,8H2,1H3;2-7H,8H2,1H3;2-5H,6-8H2,1H3;2*2-3,5H,4,6-7H2,1H3;2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2,4,9H,3,5-6H2,1H3;2*2-4H,5-6H2,1H3;2*3,5H,2,4,6H2,1H3
InChIKeyHVNSOXUSTJRFND-UHFFFAOYSA-N
MW2340.31 g/mol
LogP23.41
Rot. Bonds

About bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 158600228) has the molecular formula C143H183N21O5S2 and a molecular weight of 2340.31 g/mol. Its IUPAC name is bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Namebis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID158600228
Molecular FormulaC143H183N21O5S2
Molecular Weight2340.31 g/mol
Exact Mass2338.42
IUPAC Namebis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCN1CC=Cc2ccccc21.CN1CCCc2ccccc21.CN1CCCc2ccccc21.CN1CCOc2ccccc21.CN1CCOc2ccccc21.CN1CCS(=O)(=O)c2ccccc21.CN1CCc2[nH]ccc2C1.CN1CCc2ccccc21.CN1CCc2ccccc2C1.CN1CCc2cccnc2C1.CN1CCc2ncccc2C1.CN1CCc2occc2C1.CN1CCc2sccc2C1.CN1Cc2ccccc2C1.CN1Cc2cccnc2C1.CN1Cc2cccnc2C1
InChIInChI=1S/2C10H13N.C10H11N.C10H13N.2C9H12N2.C9H11NO2S.2C9H11NO.2C9H11N.C8H12N2.2C8H10N2.C8H11NO.C8H11NS/c3*1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-11-6-4-9-8(7-11)3-2-5-10-9;1-11-6-4-8-3-2-5-10-9(8)7-11;1-10-6-7-13(11,12)9-5-3-2-4-8(9)10;2*1-10-6-7-11-9-5-3-2-4-8(9)10;1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-6-8-4-2-3-5-9(8)10;1-10-5-3-8-7(6-10)2-4-9-8;2*1-10-5-7-3-2-4-9-8(7)6-10;2*1-9-4-2-8-7(6-9)3-5-10-8/h2*2-3,5,7H,4,6,8H2,1H3;2-7H,8H2,1H3;2-5H,6-8H2,1H3;2*2-3,5H,4,6-7H2,1H3;2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2,4,9H,3,5-6H2,1H3;2*2-4H,5-6H2,1H3;2*3,5H,2,4,6H2,1H3
InChIKeyHVNSOXUSTJRFND-UHFFFAOYSA-N
XLogP23.41
TPSA184.93 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002340.31
LogP ≤ 523.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 158600228) is bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is CN1CC=Cc2ccccc21.CN1CCCc2ccccc21.CN1CCCc2ccccc21.CN1CCOc2ccccc21.CN1CCOc2ccccc21.CN1CCS(=O)(=O)c2ccccc21.CN1CCc2[nH]ccc2C1.CN1CCc2ccccc21.CN1CCc2ccccc2C1.CN1CCc2cccnc2C1.CN1CCc2ncccc2C1.CN1CCc2occc2C1.CN1CCc2sccc2C1.CN1Cc2ccccc2C1.CN1Cc2cccnc2C1.CN1Cc2cccnc2C1.
What is the InChIKey of bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is HVNSOXUSTJRFND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13N.C10H11N.C10H13N.2C9H12N2.C9H11NO2S.2C9H11NO.2C9H11N.C8H12N2.2C8H10N2.C8H11NO.C8H11NS/c3*1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-11-6-4-9-8(7-11)3-2-5-10-9;1-11-6-4-8-3-2-5-10-9(8)7-11;1-10-6-7-13(11,12)9-5-3-2-4-8(9)10;2*1-10-6-7-11-9-5-3-2-4-8(9)10;1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-6-8-4-2-3-5-9(8)10;1-10-5-3-8-7(6-10)2-4-9-8;2*1-10-5-7-3-2-4-9-8(7)6-10;2*1-9-4-2-8-7(6-9)3-5-10-8/h2*2-3,5,7H,4,6,8H2,1H3;2-7H,8H2,1H3;2-5H,6-8H2,1H3;2*2-3,5H,4,6-7H2,1H3;2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2,4,9H,3,5-6H2,1H3;2*2-4H,5-6H2,1H3;2*3,5H,2,4,6H2,1H3.
What are the key properties of bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 2340.31 g/mol, XLogP of 23.41, 0 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 158600228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).