2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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

C126H145ClF2IN23O15 — CID 160748829

About 2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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

2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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 160748829) has the molecular formula C126H145ClF2IN23O15 and a molecular weight of 2422.04 g/mol. Its IUPAC name is 2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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: 2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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: 160748829
• Molecular Formula: C126H145ClF2IN23O15
• Molecular Weight: 2422.04 g/mol
• Exact Mass: 2420.00
• IUPAC Name: 2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(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.Cc1cc(Nc2c(C(=O)NOCC3CC3)ccc(F)c2F)c(Cl)cc1I
• InChI: InChI=1S/C31H43N7O4.C29H28N4O3.2C24H29N5O3.C18H16ClF2IN2O2/c1-23(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;1-29-27(35-4)20(31(2)3)13-21(36-29)32-18-11-7-5-9-15(18)23-24-17(14-30-28(24)34)22-16-10-6-8-12-19(16)33(29)26(22)25(23)32;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;1-9-6-15(12(19)7-14(9)22)23-17-11(4-5-13(20)16(17)21)18(25)24-26-8-10-2-3-10/h6-9,20-23H,5,10-19H2,1-4H3,(H,34,39);5-12,20-21,27H,13-14H2,1-4H3,(H,30,34);2*5-8,13-16H,9-12H2,1-4H3,(H,27,30);4-7,10,23H,2-3,8H2,1H3,(H,24,25)/t;20-,21-,27-,29+;;;/m.1.../s1
• InChIKey: RWNTVYSQSSUJRG-IRNWSDCASA-N
• XLogP: 22.01
• TPSA: 366.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2422.04
LogP ≤ 5	22.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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 2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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 160748829) is 2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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 2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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 2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(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.Cc1cc(Nc2c(C(=O)NOCC3CC3)ccc(F)c2F)c(Cl)cc1I.

What is the InChIKey of 2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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 RWNTVYSQSSUJRG-IRNWSDCASA-N. The full InChI is InChI=1S/C31H43N7O4.C29H28N4O3.2C24H29N5O3.C18H16ClF2IN2O2/c1-23(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;1-29-27(35-4)20(31(2)3)13-21(36-29)32-18-11-7-5-9-15(18)23-24-17(14-30-28(24)34)22-16-10-6-8-12-19(16)33(29)26(22)25(23)32;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;1-9-6-15(12(19)7-14(9)22)23-17-11(4-5-13(20)16(17)21)18(25)24-26-8-10-2-3-10/h6-9,20-23H,5,10-19H2,1-4H3,(H,34,39);5-12,20-21,27H,13-14H2,1-4H3,(H,30,34);2*5-8,13-16H,9-12H2,1-4H3,(H,27,30);4-7,10,23H,2-3,8H2,1H3,(H,24,25)/t;20-,21-,27-,29+;;;/m.1.../s1.

What are the key properties of 2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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?

2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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 2422.04 g/mol, XLogP of 22.01, 28 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;(2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[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-16-one;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 160748829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).