6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione

C137H151Cl2N25O20 — CID 162031039

About 6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione

6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione (PubChem CID 162031039) has the molecular formula C137H151Cl2N25O20 and a molecular weight of 2538.78 g/mol. Its IUPAC name is 6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione.

Molecular Properties

• Compound Name: 6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione
• PubChem CID: 162031039
• Molecular Formula: C137H151Cl2N25O20
• Molecular Weight: 2538.78 g/mol
• Exact Mass: 2536.09
• IUPAC Name: 6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione
• SMILES: CN1C(=O)Cc2c(ccc3c2CCN3)C1=O.CN1C(=O)Cc2cc(NCCCN3CCCC3)ccc2C1=O.CNc1ccc2c(=O)n(C)ccc2c1.COc1ccc2c(=O)n(C)ccc2c1.Cn1c(=O)[nH]c2cc(C3=NCCO3)ccc2c1=O.Cn1c(=O)[nH]c2cc(NCCCN3CCCCC3)ccc2c1=O.Cn1c(=O)[nH]c2cc(NCCCN3CCOCC3)ccc2c1=O.Cn1c(=O)[nH]c2cc3c(cc2c1=O)CCN3.Cn1ccc2cc(Cl)ccc2c1=O.Cn1ccc2ccc(Cl)cc2c1=O.Cn1ccc2ccccc2c1=O
• InChI: InChI=1S/C17H24N4O2.C17H23N3O2.C16H22N4O3.C12H11N3O3.C12H12N2O2.C11H11N3O2.C11H12N2O.C11H11NO2.2C10H8ClNO.C10H9NO/c1-20-16(22)14-7-6-13(12-15(14)19-17(20)23)18-8-5-11-21-9-3-2-4-10-21;1-19-16(21)12-13-11-14(5-6-15(13)17(19)22)18-7-4-10-20-8-2-3-9-20;1-19-15(21)13-4-3-12(11-14(13)18-16(19)22)17-5-2-6-20-7-9-23-10-8-20;1-15-11(16)8-3-2-7(10-13-4-5-18-10)6-9(8)14-12(15)17;1-14-11(15)6-9-7-4-5-13-10(7)3-2-8(9)12(14)16;1-14-10(15)7-4-6-2-3-12-8(6)5-9(7)13-11(14)16;1-12-9-3-4-10-8(7-9)5-6-13(2)11(10)14;1-12-6-5-8-7-9(14-2)3-4-10(8)11(12)13;1-12-5-4-7-6-8(11)2-3-9(7)10(12)13;1-12-5-4-7-2-3-8(11)6-9(7)10(12)13;1-11-7-6-8-4-2-3-5-9(8)10(11)12/h6-7,12,18H,2-5,8-11H2,1H3,(H,19,23);5-6,11,18H,2-4,7-10,12H2,1H3;3-4,11,17H,2,5-10H2,1H3,(H,18,22);2-3,6H,4-5H2,1H3,(H,14,17);2-3,13H,4-6H2,1H3;4-5,12H,2-3H2,1H3,(H,13,16);3-7,12H,1-2H3;3-7H,1-2H3;2*2-6H,1H3;2-7H,1H3
• InChIKey: YWAJILSYGONMCZ-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 526.15 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2538.78
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione?

The IUPAC name of 6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione (CID 162031039) is 6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione.

What is the SMILES notation for 6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione?

The canonical SMILES for 6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione is CN1C(=O)Cc2c(ccc3c2CCN3)C1=O.CN1C(=O)Cc2cc(NCCCN3CCCC3)ccc2C1=O.CNc1ccc2c(=O)n(C)ccc2c1.COc1ccc2c(=O)n(C)ccc2c1.Cn1c(=O)[nH]c2cc(C3=NCCO3)ccc2c1=O.Cn1c(=O)[nH]c2cc(NCCCN3CCCCC3)ccc2c1=O.Cn1c(=O)[nH]c2cc(NCCCN3CCOCC3)ccc2c1=O.Cn1c(=O)[nH]c2cc3c(cc2c1=O)CCN3.Cn1ccc2cc(Cl)ccc2c1=O.Cn1ccc2ccc(Cl)cc2c1=O.Cn1ccc2ccccc2c1=O.

What is the InChIKey of 6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione?

The InChIKey is YWAJILSYGONMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.C17H23N3O2.C16H22N4O3.C12H11N3O3.C12H12N2O2.C11H11N3O2.C11H12N2O.C11H11NO2.2C10H8ClNO.C10H9NO/c1-20-16(22)14-7-6-13(12-15(14)19-17(20)23)18-8-5-11-21-9-3-2-4-10-21;1-19-16(21)12-13-11-14(5-6-15(13)17(19)22)18-7-4-10-20-8-2-3-9-20;1-19-15(21)13-4-3-12(11-14(13)18-16(19)22)17-5-2-6-20-7-9-23-10-8-20;1-15-11(16)8-3-2-7(10-13-4-5-18-10)6-9(8)14-12(15)17;1-14-11(15)6-9-7-4-5-13-10(7)3-2-8(9)12(14)16;1-14-10(15)7-4-6-2-3-12-8(6)5-9(7)13-11(14)16;1-12-9-3-4-10-8(7-9)5-6-13(2)11(10)14;1-12-6-5-8-7-9(14-2)3-4-10(8)11(12)13;1-12-5-4-7-6-8(11)2-3-9(7)10(12)13;1-12-5-4-7-2-3-8(11)6-9(7)10(12)13;1-11-7-6-8-4-2-3-5-9(8)10(11)12/h6-7,12,18H,2-5,8-11H2,1H3,(H,19,23);5-6,11,18H,2-4,7-10,12H2,1H3;3-4,11,17H,2,5-10H2,1H3,(H,18,22);2-3,6H,4-5H2,1H3,(H,14,17);2-3,13H,4-6H2,1H3;4-5,12H,2-3H2,1H3,(H,13,16);3-7,12H,1-2H3;3-7H,1-2H3;2*2-6H,1H3;2-7H,1H3.

What are the key properties of 6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione?

6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione has a molecular weight of 2538.78 g/mol, XLogP of 13.67, 18 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-methylisoquinolin-1-one;7-chloro-2-methylisoquinolin-1-one;7-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1H-quinazoline-2,4-dione;6-methoxy-2-methylisoquinolin-1-one;2-methylisoquinolin-1-one;2-methyl-6-(methylamino)isoquinolin-1-one;3-methyl-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-methyl-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)-4H-isoquinoline-1,3-dione;7-methyl-1,2,3,9-tetrahydropyrrolo[3,2-f]isoquinoline-6,8-dione;3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazoline-2,4-dione is sourced from PubChem (CID 162031039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).