(2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

C146H163N23O17 — CID 159476744

About (2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

(2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 159476744) has the molecular formula C146H163N23O17 and a molecular weight of 2512.05 g/mol. Its IUPAC name is (2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: (2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
• PubChem CID: 159476744
• Molecular Formula: C146H163N23O17
• Molecular Weight: 2512.05 g/mol
• Exact Mass: 2510.26
• IUPAC Name: (2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
• SMILES: CO[C@@H]1[C@H](N(C)C(=O)c2cccc(C)c2)C[C@H]2O[C@]1(C)C1c3ccccc3-c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4.CO[C@@H]1[C@H](N(C)C)C[C@H]2O[C@]1(C)C1c3ccccc3-c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4.COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1C.COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCN(C)CC1.COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1C
• InChI: InChI=1S/C37H33N3O4.C31H43N7O4.C30H29N3O3.2C24H29N5O3/c1-19-10-9-11-20(16-19)36(42)39(3)26-17-27-40-25-15-8-7-14-23(25)29-30-24(18-38-35(30)41)28-21-12-5-6-13-22(21)32(31(28)33(29)40)37(2,44-27)34(26)43-4;1-23(2)42-25-8-6-24(7-9-25)34-31(39)38-17-15-37(16-18-38)30-26-20-28(40-4)29(21-27(26)32-22-33-30)41-19-5-10-36-13-11-35(3)12-14-36;1-30-26-16-10-6-5-9-15(16)22-18-14-31-29(34)24(18)23-17-11-7-8-12-19(17)33(27(23)25(22)26)21(36-30)13-20(32(2)3)28(30)35-4;1-16(2)32-19-7-5-18(6-8-19)27-24(30)29-11-9-28(10-12-29)23-20-14-22(31-4)17(3)13-21(20)25-15-26-23;1-16(2)32-19-7-5-18(6-8-19)27-24(30)29-11-9-28(10-12-29)23-20-13-17(3)22(31-4)14-21(20)25-15-26-23/h5-16,26-27,32,34H,17-18H2,1-4H3,(H,38,41);6-9,20-23H,5,10-19H2,1-4H3,(H,34,39);5-12,20-21,26,28H,13-14H2,1-4H3,(H,31,34);2*5-8,13-16H,9-12H2,1-4H3,(H,27,30)/t26-,27-,32?,34-,37-;;20-,21-,26?,28-,30-;;/m1.1../s1
• InChIKey: LWMBJEDUFUXUAW-MHTYZAGFSA-N
• XLogP: 23.06
• TPSA: 383.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2512.05
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?

The IUPAC name of (2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 159476744) is (2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

What is the SMILES notation for (2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?

The canonical SMILES for (2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is CO[C@@H]1[C@H](N(C)C(=O)c2cccc(C)c2)C[C@H]2O[C@]1(C)C1c3ccccc3-c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4.CO[C@@H]1[C@H](N(C)C)C[C@H]2O[C@]1(C)C1c3ccccc3-c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4.COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1C.COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCN(C)CC1.COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1C.

What is the InChIKey of (2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?

The InChIKey is LWMBJEDUFUXUAW-MHTYZAGFSA-N. The full InChI is InChI=1S/C37H33N3O4.C31H43N7O4.C30H29N3O3.2C24H29N5O3/c1-19-10-9-11-20(16-19)36(42)39(3)26-17-27-40-25-15-8-7-14-23(25)29-30-24(18-38-35(30)41)28-21-12-5-6-13-22(21)32(31(28)33(29)40)37(2,44-27)34(26)43-4;1-23(2)42-25-8-6-24(7-9-25)34-31(39)38-17-15-37(16-18-38)30-26-20-28(40-4)29(21-27(26)32-22-33-30)41-19-5-10-36-13-11-35(3)12-14-36;1-30-26-16-10-6-5-9-15(16)22-18-14-31-29(34)24(18)23-17-11-7-8-12-19(17)33(27(23)25(22)26)21(36-30)13-20(32(2)3)28(30)35-4;1-16(2)32-19-7-5-18(6-8-19)27-24(30)29-11-9-28(10-12-29)23-20-14-22(31-4)17(3)13-21(20)25-15-26-23;1-16(2)32-19-7-5-18(6-8-19)27-24(30)29-11-9-28(10-12-29)23-20-13-17(3)22(31-4)14-21(20)25-15-26-23/h5-16,26-27,32,34H,17-18H2,1-4H3,(H,38,41);6-9,20-23H,5,10-19H2,1-4H3,(H,34,39);5-12,20-21,26,28H,13-14H2,1-4H3,(H,31,34);2*5-8,13-16H,9-12H2,1-4H3,(H,27,30)/t26-,27-,32?,34-,37-;;20-,21-,26?,28-,30-;;/m1.1../s1.

What are the key properties of (2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?

(2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 2512.05 g/mol, XLogP of 23.06, 25 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,5R,6R)-4-(dimethylamino)-5-methoxy-6-methyl-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-18-one;N-[(2R,4R,5R,6R)-5-methoxy-6-methyl-18-oxo-29-oxa-1,17-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N,3-dimethylbenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 159476744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).