(E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

C126H107Cl6N19O20 — CID 172923575

About (E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

(E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (PubChem CID 172923575) has the molecular formula C126H107Cl6N19O20 and a molecular weight of 2420.07 g/mol. Its IUPAC name is (E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

• Compound Name: (E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
• PubChem CID: 172923575
• Molecular Formula: C126H107Cl6N19O20
• Molecular Weight: 2420.07 g/mol
• Exact Mass: 2415.61
• IUPAC Name: (E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
• SMILES: CO/N=C/c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.COCc1c(C(=O)OCCN2CCOCC2)ncc2c1c1ccccc1n2Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.O=C(OCCCc1ccccn1)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.O=C(OCCCc1ccncc1)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.O=C(OCCN1CCOCC1)c1cc2c3ccccc3n(Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2cn1
• InChI: InChI=1S/2C27H21Cl2N3O2.C27H27N5O8.C25H23N5O7.C20H15Cl2N3O/c28-19-10-11-23(29)18(14-19)17-32-25-9-2-1-8-21(25)22-15-24(31-16-26(22)32)27(33)34-13-5-7-20-6-3-4-12-30-20;28-20-7-8-23(29)19(14-20)17-32-25-6-2-1-5-21(25)22-15-24(31-16-26(22)32)27(33)34-13-3-4-18-9-11-30-12-10-18;1-38-17-22-25-21-4-2-3-5-23(21)30(16-18-12-19(31(34)35)14-20(13-18)32(36)37)24(25)15-28-26(22)27(33)40-11-8-29-6-9-39-10-7-29;31-25(37-10-7-27-5-8-36-9-6-27)22-14-21-20-3-1-2-4-23(20)28(24(21)15-26-22)16-17-11-18(29(32)33)13-19(12-17)30(34)35;1-26-24-10-15-9-17-16-4-2-3-5-19(16)25(20(17)11-23-15)12-13-8-14(21)6-7-18(13)22/h1-4,6,8-12,14-16H,5,7,13,17H2;1-2,5-12,14-16H,3-4,13,17H2;2-5,12-15H,6-11,16-17H2,1H3;1-4,11-15H,5-10,16H2;2-11H,12H2,1H3/b;;;;24-10+
• InChIKey: NDHCCYZOXIQTFU-CHPQFSLFSA-N
• XLogP: 26.22
• TPSA: 448.40 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2420.07
LogP ≤ 5	26.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

The IUPAC name of (E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (CID 172923575) is (E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.

What is the SMILES notation for (E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

The canonical SMILES for (E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is CO/N=C/c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.COCc1c(C(=O)OCCN2CCOCC2)ncc2c1c1ccccc1n2Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.O=C(OCCCc1ccccn1)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.O=C(OCCCc1ccncc1)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.O=C(OCCN1CCOCC1)c1cc2c3ccccc3n(Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2cn1.

What is the InChIKey of (E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

The InChIKey is NDHCCYZOXIQTFU-CHPQFSLFSA-N. The full InChI is InChI=1S/2C27H21Cl2N3O2.C27H27N5O8.C25H23N5O7.C20H15Cl2N3O/c28-19-10-11-23(29)18(14-19)17-32-25-9-2-1-8-21(25)22-15-24(31-16-26(22)32)27(33)34-13-5-7-20-6-3-4-12-30-20;28-20-7-8-23(29)19(14-20)17-32-25-6-2-1-5-21(25)22-15-24(31-16-26(22)32)27(33)34-13-3-4-18-9-11-30-12-10-18;1-38-17-22-25-21-4-2-3-5-23(21)30(16-18-12-19(31(34)35)14-20(13-18)32(36)37)24(25)15-28-26(22)27(33)40-11-8-29-6-9-39-10-7-29;31-25(37-10-7-27-5-8-36-9-6-27)22-14-21-20-3-1-2-4-23(20)28(24(21)15-26-22)16-17-11-18(29(32)33)13-19(12-17)30(34)35;1-26-24-10-15-9-17-16-4-2-3-5-19(16)25(20(17)11-23-15)12-13-8-14(21)6-7-18(13)22/h1-4,6,8-12,14-16H,5,7,13,17H2;1-2,5-12,14-16H,3-4,13,17H2;2-5,12-15H,6-11,16-17H2,1H3;1-4,11-15H,5-10,16H2;2-11H,12H2,1H3/b;;;;24-10+.

What are the key properties of (E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

(E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 2420.07 g/mol, XLogP of 26.22, 36 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 172923575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).