6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

C122H142F2N20O12 — CID 172963090

About 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 172963090) has the molecular formula C122H142F2N20O12 and a molecular weight of 2118.60 g/mol. Its IUPAC name is 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

• Compound Name: 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
• PubChem CID: 172963090
• Molecular Formula: C122H142F2N20O12
• Molecular Weight: 2118.60 g/mol
• Exact Mass: 2117.11
• IUPAC Name: 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
• SMILES: CC(C)Oc1ccccc1C1NC(=O)c2ccccc2N1.CC(F)(F)Oc1ccc2[nH]c3c(c2c1)CNCC3.CN(C)c1cc(N/N=C\c2ccccc2)nc(N(C)C)n1.CN1C(=O)c2cccc(N(C)C)c2C1=O.COc1cccc(C2NCCc3ccccc32)c1.Cc1cccc(NC(=O)CN2C(=O)N(C)C(C)(C)C2=O)c1C.Cc1cccc(NC(=O)N2CCOCC2)c1.O=C(c1ccccc1N1CCCC1)N1CC=C(c2ccccc2)CC1
• InChI: InChI=1S/C22H24N2O.C17H18N2O2.C16H21N3O3.C16H17NO.C15H20N6.C13H14F2N2O.C12H16N2O2.C11H12N2O2/c25-22(20-10-4-5-11-21(20)23-14-6-7-15-23)24-16-12-19(13-17-24)18-8-2-1-3-9-18;1-11(2)21-15-10-6-4-8-13(15)16-18-14-9-5-3-7-12(14)17(20)19-16;1-10-7-6-8-12(11(10)2)17-13(20)9-19-14(21)16(3,4)18(5)15(19)22;1-18-14-7-4-6-13(11-14)16-15-8-3-2-5-12(15)9-10-17-16;1-20(2)14-10-13(17-15(18-14)21(3)4)19-16-11-12-8-6-5-7-9-12;1-13(14,15)18-8-2-3-11-9(6-8)10-7-16-5-4-12(10)17-11;1-10-3-2-4-11(9-10)13-12(15)14-5-7-16-8-6-14;1-12(2)8-6-4-5-7-9(8)11(15)13(3)10(7)14/h1-5,8-12H,6-7,13-17H2;3-11,16,18H,1-2H3,(H,19,20);6-8H,9H2,1-5H3,(H,17,20);2-8,11,16-17H,9-10H2,1H3;5-11H,1-4H3,(H,17,18,19);2-3,6,16-17H,4-5,7H2,1H3;2-4,9H,5-8H2,1H3,(H,13,15);4-6H,1-3H3/b;;;;16-11-
• InChIKey: KZNRZUYLODYNDU-ZVHSHLHNSA-N
• XLogP: 20.09
• TPSA: 340.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2118.60
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?

The IUPAC name of 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 172963090) is 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.

What is the SMILES notation for 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?

The canonical SMILES for 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is CC(C)Oc1ccccc1C1NC(=O)c2ccccc2N1.CC(F)(F)Oc1ccc2[nH]c3c(c2c1)CNCC3.CN(C)c1cc(N/N=C\c2ccccc2)nc(N(C)C)n1.CN1C(=O)c2cccc(N(C)C)c2C1=O.COc1cccc(C2NCCc3ccccc32)c1.Cc1cccc(NC(=O)CN2C(=O)N(C)C(C)(C)C2=O)c1C.Cc1cccc(NC(=O)N2CCOCC2)c1.O=C(c1ccccc1N1CCCC1)N1CC=C(c2ccccc2)CC1.

What is the InChIKey of 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?

The InChIKey is KZNRZUYLODYNDU-ZVHSHLHNSA-N. The full InChI is InChI=1S/C22H24N2O.C17H18N2O2.C16H21N3O3.C16H17NO.C15H20N6.C13H14F2N2O.C12H16N2O2.C11H12N2O2/c25-22(20-10-4-5-11-21(20)23-14-6-7-15-23)24-16-12-19(13-17-24)18-8-2-1-3-9-18;1-11(2)21-15-10-6-4-8-13(15)16-18-14-9-5-3-7-12(14)17(20)19-16;1-10-7-6-8-12(11(10)2)17-13(20)9-19-14(21)16(3,4)18(5)15(19)22;1-18-14-7-4-6-13(11-14)16-15-8-3-2-5-12(15)9-10-17-16;1-20(2)14-10-13(17-15(18-14)21(3)4)19-16-11-12-8-6-5-7-9-12;1-13(14,15)18-8-2-3-11-9(6-8)10-7-16-5-4-12(10)17-11;1-10-3-2-4-11(9-10)13-12(15)14-5-7-16-8-6-14;1-12(2)8-6-4-5-7-9(8)11(15)13(3)10(7)14/h1-5,8-12H,6-7,13-17H2;3-11,16,18H,1-2H3,(H,19,20);6-8H,9H2,1-5H3,(H,17,20);2-8,11,16-17H,9-10H2,1H3;5-11H,1-4H3,(H,17,18,19);2-3,6,16-17H,4-5,7H2,1H3;2-4,9H,5-8H2,1H3,(H,13,15);4-6H,1-3H3/b;;;;16-11-;;;.

What are the key properties of 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?

6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 2118.60 g/mol, XLogP of 20.09, 20 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine;8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;N-(2,3-dimethylphenyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetamide;1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;N-(3-methylphenyl)morpholine-4-carboxamide;(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-pyrrolidin-1-ylphenyl)methanone;2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 172963090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).