10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate

C118H96Cl9N13O14 — CID 159099361

About 10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate

10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate (PubChem CID 159099361) has the molecular formula C118H96Cl9N13O14 and a molecular weight of 2239.22 g/mol. Its IUPAC name is 10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

• Compound Name: 10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate
• PubChem CID: 159099361
• Molecular Formula: C118H96Cl9N13O14
• Molecular Weight: 2239.22 g/mol
• Exact Mass: 2233.44
• IUPAC Name: 10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate
• SMILES: C=C1OC(C)c2c1ncc1c2c2ccccc2n1Cc1cc(Cl)ccc1Cl.CCOC(=O)c1cc2c3ccccc3n(Cc3cc([N+](=O)[O-])ccc3OC)c2cn1.COCc1c(C(=O)OC(C)C)ncc2c1c1ccccc1n2Cc1cc(Cl)ccc1Cl.O=C(OCCN1CCOCC1)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.O=C(OCc1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1)c1cccnc1Cl
• InChI: InChI=1S/C25H16Cl3N3O2.C25H23Cl2N3O3.C24H22Cl2N2O3.C22H16Cl2N2O.C22H19N3O5/c26-16-7-8-21(27)15(10-16)13-31-22-6-2-1-4-18(22)20-11-17(30-12-23(20)31)14-33-25(32)19-5-3-9-29-24(19)28;26-18-5-6-21(27)17(13-18)16-30-23-4-2-1-3-19(23)20-14-22(28-15-24(20)30)25(31)33-12-9-29-7-10-32-11-8-29;1-14(2)31-24(29)23-18(13-30-3)22-17-6-4-5-7-20(17)28(21(22)11-27-23)12-15-10-16(25)8-9-19(15)26;1-12-20-21-16-5-3-4-6-18(16)26(11-14-9-15(23)7-8-17(14)24)19(21)10-25-22(20)13(2)27-12;1-3-30-22(26)18-11-17-16-6-4-5-7-19(16)24(20(17)12-23-18)13-14-10-15(25(27)28)8-9-21(14)29-2/h1-12H,13-14H2;1-6,13-15H,7-12,16H2;4-11,14H,12-13H2,1-3H3;3-10,12H,2,11H2,1H3;4-12H,3,13H2,1-2H3
• InChIKey: KDBUKDIRUCLUJU-UHFFFAOYSA-N
• XLogP: 29.18
• TPSA: 290.49 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2239.22
LogP ≤ 5	29.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate?

The IUPAC name of 10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate (CID 159099361) is 10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate.

What is the SMILES notation for 10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate?

The canonical SMILES for 10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate is C=C1OC(C)c2c1ncc1c2c2ccccc2n1Cc1cc(Cl)ccc1Cl.CCOC(=O)c1cc2c3ccccc3n(Cc3cc([N+](=O)[O-])ccc3OC)c2cn1.COCc1c(C(=O)OC(C)C)ncc2c1c1ccccc1n2Cc1cc(Cl)ccc1Cl.O=C(OCCN1CCOCC1)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.O=C(OCc1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1)c1cccnc1Cl.

What is the InChIKey of 10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate?

The InChIKey is KDBUKDIRUCLUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl3N3O2.C25H23Cl2N3O3.C24H22Cl2N2O3.C22H16Cl2N2O.C22H19N3O5/c26-16-7-8-21(27)15(10-16)13-31-22-6-2-1-4-18(22)20-11-17(30-12-23(20)31)14-33-25(32)19-5-3-9-29-24(19)28;26-18-5-6-21(27)17(13-18)16-30-23-4-2-1-3-19(23)20-14-22(28-15-24(20)30)25(31)33-12-9-29-7-10-32-11-8-29;1-14(2)31-24(29)23-18(13-30-3)22-17-6-4-5-7-20(17)28(21(22)11-27-23)12-15-10-16(25)8-9-19(15)26;1-12-20-21-16-5-3-4-6-18(16)26(11-14-9-15(23)7-8-17(14)24)19(21)10-25-22(20)13(2)27-12;1-3-30-22(26)18-11-17-16-6-4-5-7-19(16)24(20(17)12-23-18)13-14-10-15(25(27)28)8-9-21(14)29-2/h1-12H,13-14H2;1-6,13-15H,7-12,16H2;4-11,14H,12-13H2,1-3H3;3-10,12H,2,11H2,1H3;4-12H,3,13H2,1-2H3.

What are the key properties of 10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate?

10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 2239.22 g/mol, XLogP of 29.18, 25 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[(2,5-dichlorophenyl)methyl]-3-methyl-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaene;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl 2-chloropyridine-3-carboxylate;ethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 159099361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).