6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

C26H24ClN3O3 — CID 50759120

IUPAC6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C26H24ClN3O3/c1-32-19-9-6-16(7-10-19)25-24-21(22-14-17(27)8-11-23(22)29-24)12-13-30(25)26(31)28-18-4-3-5-20(15-18)33-2/h3-11,14-15,25,29H,12-13H2,1-2H3,(H,28,31)
InChIKeyNCIPMGAKFOQOIR-UHFFFAOYSA-N
MW461.95 g/mol
LogP6.02
Rot. Bonds4

About 6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 50759120) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
PubChem CID50759120
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C26H24ClN3O3/c1-32-19-9-6-16(7-10-19)25-24-21(22-14-17(27)8-11-23(22)29-24)12-13-30(25)26(31)28-18-4-3-5-20(15-18)33-2/h3-11,14-15,25,29H,12-13H2,1-2H3,(H,28,31)
InChIKeyNCIPMGAKFOQOIR-UHFFFAOYSA-N
XLogP6.02
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Emvododstat
CID 49787172
Mls000736961
CID 261617
N-(4-methoxyphenyl)-1,3,4,9-tetrahydro-2H-beta-carboline-2-carboxamide
CID 3763551
6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 3973224
CAND1-Cullin1 destabilizer C60
CID 50759021
6-Chloro-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxamide
CID 50759119
(1R)-2-acetyl-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide
CID 60187039
9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate
CID 90466864
9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate
CID 90467172
[6-Chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methoxyphenyl)methanone
CID 117937360
[6-Chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-chlorophenyl)methanone
CID 117937362
[6-Chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 117937367

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 50759120) is 6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The InChIKey is NCIPMGAKFOQOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-32-19-9-6-16(7-10-19)25-24-21(22-14-17(27)8-11-23(22)29-24)12-13-30(25)26(31)28-18-4-3-5-20(15-18)33-2/h3-11,14-15,25,29H,12-13H2,1-2H3,(H,28,31).
What are the key properties of 6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 50759120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).