(4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

C101H113Cl6N9O11 — CID 157103467

IUPAC(4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
SMILESCC(C)NCCCCCCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.COCCCNCCCCCCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.O=C(Oc1ccc(Cl)cc1)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCCCCCCN2CCOCC2)cc1
InChIInChI=1S/C34H37Cl2N3O4.C34H39Cl2N3O4.C33H37Cl2N3O3/c35-25-7-12-28(13-8-25)43-34(40)39-17-15-29-30-23-26(36)9-14-31(30)37-32(29)33(39)24-5-10-27(11-6-24)42-20-4-2-1-3-16-38-18-21-41-22-19-38;1-41-21-6-19-37-18-4-2-3-5-22-42-27-12-7-24(8-13-27)33-32-29(30-23-26(36)11-16-31(30)38-32)17-20-39(33)34(40)43-28-14-9-25(35)10-15-28;1-22(2)36-18-5-3-4-6-20-40-26-12-7-23(8-13-26)32-31-28(29-21-25(35)11-16-30(29)37-31)17-19-38(32)33(39)41-27-14-9-24(34)10-15-27/h5-14,23,33,37H,1-4,15-22H2;7-16,23,33,37-38H,2-6,17-22H2,1H3;7-16,21-22,32,36-37H,3-6,17-20H2,1-2H3
InChIKeyAGAMJCNCESHSDG-UHFFFAOYSA-N
MW1841.78 g/mol
LogP24.64
Rot. Bonds35

About (4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

(4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (PubChem CID 157103467) has the molecular formula C101H113Cl6N9O11 and a molecular weight of 1841.78 g/mol. Its IUPAC name is (4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
PubChem CID157103467
Molecular FormulaC101H113Cl6N9O11
Molecular Weight1841.78 g/mol
Exact Mass1837.67
IUPAC Name(4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
SMILESCC(C)NCCCCCCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.COCCCNCCCCCCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.O=C(Oc1ccc(Cl)cc1)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCCCCCCN2CCOCC2)cc1
InChIInChI=1S/C34H37Cl2N3O4.C34H39Cl2N3O4.C33H37Cl2N3O3/c35-25-7-12-28(13-8-25)43-34(40)39-17-15-29-30-23-26(36)9-14-31(30)37-32(29)33(39)24-5-10-27(11-6-24)42-20-4-2-1-3-16-38-18-21-41-22-19-38;1-41-21-6-19-37-18-4-2-3-5-22-42-27-12-7-24(8-13-27)33-32-29(30-23-26(36)11-16-31(30)38-32)17-20-39(33)34(40)43-28-14-9-25(35)10-15-28;1-22(2)36-18-5-3-4-6-20-40-26-12-7-23(8-13-26)32-31-28(29-21-25(35)11-16-30(29)37-31)17-19-38(32)33(39)41-27-14-9-24(34)10-15-27/h5-14,23,33,37H,1-4,15-22H2;7-16,23,33,37-38H,2-6,17-22H2,1H3;7-16,21-22,32,36-37H,3-6,17-20H2,1-2H3
InChIKeyAGAMJCNCESHSDG-UHFFFAOYSA-N
XLogP24.64
TPSA209.44 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds35
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001841.78
LogP ≤ 524.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate with MolForge

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Related Compounds

Emvododstat
CID 49787172
(4-Chlorophenyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 11190538
CID 67986221
CID 67986221
(4-Fluorophenyl) 1-[3-[3-[bis(2-methoxyethyl)amino]propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 49821257
(4-Fluorophenyl) 6-chloro-1-[4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 49822098
(4-Fluorophenyl) 6-chloro-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 49822099
(4-Fluorophenyl) 6-chloro-1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 49832566
(4-Fluorophenyl) 6-chloro-1-[4-[4-(3-methoxypropylamino)butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 49832567
(4-Fluorophenyl) 6-chloro-1-[4-(4-piperidin-1-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 49832732
(4-Fluorophenyl) 6-chloro-1-[4-[6-(2-hydroxyethylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 49832733
(4-Fluorophenyl) 6-chloro-1-[4-(6-pyrrolidin-1-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 49832734
(4-Fluorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 49832735

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?
The IUPAC name of (4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (CID 157103467) is (4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.
What is the SMILES notation for (4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?
The canonical SMILES for (4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is CC(C)NCCCCCCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.COCCCNCCCCCCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.O=C(Oc1ccc(Cl)cc1)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCCCCCCN2CCOCC2)cc1.
What is the InChIKey of (4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?
The InChIKey is AGAMJCNCESHSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37Cl2N3O4.C34H39Cl2N3O4.C33H37Cl2N3O3/c35-25-7-12-28(13-8-25)43-34(40)39-17-15-29-30-23-26(36)9-14-31(30)37-32(29)33(39)24-5-10-27(11-6-24)42-20-4-2-1-3-16-38-18-21-41-22-19-38;1-41-21-6-19-37-18-4-2-3-5-22-42-27-12-7-24(8-13-27)33-32-29(30-23-26(36)11-16-31(30)38-32)17-20-39(33)34(40)43-28-14-9-25(35)10-15-28;1-22(2)36-18-5-3-4-6-20-40-26-12-7-23(8-13-26)32-31-28(29-21-25(35)11-16-30(29)37-31)17-19-38(32)33(39)41-27-14-9-24(34)10-15-27/h5-14,23,33,37H,1-4,15-22H2;7-16,23,33,37-38H,2-6,17-22H2,1H3;7-16,21-22,32,36-37H,3-6,17-20H2,1-2H3.
What are the key properties of (4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?
(4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate has a molecular weight of 1841.78 g/mol, XLogP of 24.64, 35 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 6-chloro-1-[4-[6-(3-methoxypropylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(6-morpholin-4-ylhexoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[6-(propan-2-ylamino)hexoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is sourced from PubChem (CID 157103467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).