4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

C136H153N21O13S2 — CID 157191881

IUPAC4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCN1C(=O)CCc2ccccc21.CN1C(=O)CCc2ccccc21.CN1C(=O)COc2ccccc21.CN1C(=O)CS(=O)(=O)c2ccccc21.CN1C(=O)CSc2ccccc21.CN1C(=O)Cc2ccccc21.CN1CCc2ccccc2C1=O.CN1CCc2ccncc2C1.CN1CCc2cn[nH]c2C1.CN1CCc2cnccc2C1.CN1Cc2ccccc2C1=O.CN1Cc2ccccc2CC1=O.CN1Cc2ccncc2C1.CN1Cc2ccncc2C1.Cn1c(=O)ccc2ccccc21
InChIInChI=1S/4C10H11NO.C10H9NO.2C9H12N2.C9H9NO3S.C9H9NO2.C9H9NOS.2C9H9NO.2C8H10N2.C7H11N3/c1-11-7-9-5-3-2-4-8(9)6-10(11)12;1-11-7-6-8-4-2-3-5-9(8)10(11)12;3*1-11-9-5-3-2-4-8(9)6-7-10(11)12;1-11-5-3-8-6-10-4-2-9(8)7-11;1-11-5-3-8-2-4-10-6-9(8)7-11;1-10-7-4-2-3-5-8(7)14(12,13)6-9(10)11;2*1-10-7-4-2-3-5-8(7)12-6-9(10)11;1-10-6-7-4-2-3-5-8(7)9(10)11;1-10-8-5-3-2-4-7(8)6-9(10)11;2*1-10-5-7-2-3-9-4-8(7)6-10;1-10-3-2-6-4-8-9-7(6)5-10/h4*2-5H,6-7H2,1H3;2-7H,1H3;2*2,4,6H,3,5,7H2,1H3;2-5H,6H2,1H3;2*2-5H,6H2,1H3;2*2-5H,6H2,1H3;2*2-4H,5-6H2,1H3;4H,2-3,5H2,1H3,(H,8,9)
InChIKeyAPUGWYDRVQRYFF-UHFFFAOYSA-N
MW2353.99 g/mol
LogP17.55
Rot. Bonds

About 4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 157191881) has the molecular formula C136H153N21O13S2 and a molecular weight of 2353.99 g/mol. Its IUPAC name is 4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID157191881
Molecular FormulaC136H153N21O13S2
Molecular Weight2353.99 g/mol
Exact Mass2352.14
IUPAC Name4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCN1C(=O)CCc2ccccc21.CN1C(=O)CCc2ccccc21.CN1C(=O)COc2ccccc21.CN1C(=O)CS(=O)(=O)c2ccccc21.CN1C(=O)CSc2ccccc21.CN1C(=O)Cc2ccccc21.CN1CCc2ccccc2C1=O.CN1CCc2ccncc2C1.CN1CCc2cn[nH]c2C1.CN1CCc2cnccc2C1.CN1Cc2ccccc2C1=O.CN1Cc2ccccc2CC1=O.CN1Cc2ccncc2C1.CN1Cc2ccncc2C1.Cn1c(=O)ccc2ccccc21
InChIInChI=1S/4C10H11NO.C10H9NO.2C9H12N2.C9H9NO3S.C9H9NO2.C9H9NOS.2C9H9NO.2C8H10N2.C7H11N3/c1-11-7-9-5-3-2-4-8(9)6-10(11)12;1-11-7-6-8-4-2-3-5-9(8)10(11)12;3*1-11-9-5-3-2-4-8(9)6-7-10(11)12;1-11-5-3-8-6-10-4-2-9(8)7-11;1-11-5-3-8-2-4-10-6-9(8)7-11;1-10-7-4-2-3-5-8(7)14(12,13)6-9(10)11;2*1-10-7-4-2-3-5-8(7)12-6-9(10)11;1-10-6-7-4-2-3-5-8(7)9(10)11;1-10-8-5-3-2-4-7(8)6-9(10)11;2*1-10-5-7-2-3-9-4-8(7)6-10;1-10-3-2-6-4-8-9-7(6)5-10/h4*2-5H,6-7H2,1H3;2-7H,1H3;2*2,4,6H,3,5,7H2,1H3;2-5H,6H2,1H3;2*2-5H,6H2,1H3;2*2-5H,6H2,1H3;2*2-4H,5-6H2,1H3;4H,2-3,5H2,1H3,(H,8,9)
InChIKeyAPUGWYDRVQRYFF-UHFFFAOYSA-N
XLogP17.55
TPSA344.60 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002353.99
LogP ≤ 517.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 157191881) is 4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is CN1C(=O)CCc2ccccc21.CN1C(=O)CCc2ccccc21.CN1C(=O)COc2ccccc21.CN1C(=O)CS(=O)(=O)c2ccccc21.CN1C(=O)CSc2ccccc21.CN1C(=O)Cc2ccccc21.CN1CCc2ccccc2C1=O.CN1CCc2ccncc2C1.CN1CCc2cn[nH]c2C1.CN1CCc2cnccc2C1.CN1Cc2ccccc2C1=O.CN1Cc2ccccc2CC1=O.CN1Cc2ccncc2C1.CN1Cc2ccncc2C1.Cn1c(=O)ccc2ccccc21.
What is the InChIKey of 4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is APUGWYDRVQRYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H11NO.C10H9NO.2C9H12N2.C9H9NO3S.C9H9NO2.C9H9NOS.2C9H9NO.2C8H10N2.C7H11N3/c1-11-7-9-5-3-2-4-8(9)6-10(11)12;1-11-7-6-8-4-2-3-5-9(8)10(11)12;3*1-11-9-5-3-2-4-8(9)6-7-10(11)12;1-11-5-3-8-6-10-4-2-9(8)7-11;1-11-5-3-8-2-4-10-6-9(8)7-11;1-10-7-4-2-3-5-8(7)14(12,13)6-9(10)11;2*1-10-7-4-2-3-5-8(7)12-6-9(10)11;1-10-6-7-4-2-3-5-8(7)9(10)11;1-10-8-5-3-2-4-7(8)6-9(10)11;2*1-10-5-7-2-3-9-4-8(7)6-10;1-10-3-2-6-4-8-9-7(6)5-10/h4*2-5H,6-7H2,1H3;2-7H,1H3;2*2,4,6H,3,5,7H2,1H3;2-5H,6H2,1H3;2*2-5H,6H2,1H3;2*2-5H,6H2,1H3;2*2-4H,5-6H2,1H3;4H,2-3,5H2,1H3,(H,8,9).
What are the key properties of 4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 2353.99 g/mol, XLogP of 17.55, 0 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-benzothiazin-3-one;4-methyl-1,4-benzoxazin-3-one;2-methyl-1,4-dihydroisoquinolin-3-one;2-methyl-3,4-dihydroisoquinolin-1-one;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;bis(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine);bis(1-methyl-3,4-dihydroquinolin-2-one);4-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one;1-methyl-3H-indol-2-one;2-methyl-3H-isoindol-1-one;1-methylquinolin-2-one;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 157191881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).