N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone

C55H48N8O6 — CID 87319167

IUPACN-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone
SMILESCOCCNC(=O)c1ccc(-c2c(OC)ccc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1.COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C28H24N4O3.C27H24N4O3/c1-34-25-8-7-22-27(21-15-23(30-17-24(21)31-22)20-6-3-9-29-16-20)26(25)18-4-2-5-19(14-18)28(33)32-10-12-35-13-11-32;1-33-13-12-29-27(32)18-7-5-17(6-8-18)25-24(34-2)10-9-21-26(25)20-14-22(30-16-23(20)31-21)19-4-3-11-28-15-19/h2-9,14-17,31H,10-13H2,1H3;3-11,14-16,31H,12-13H2,1-2H3,(H,29,32)
InChIKeyPBFBOQXODCSLQW-UHFFFAOYSA-N
MW917.04 g/mol
LogP9.76
Rot. Bonds11

About N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone

N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 87319167) has the molecular formula C55H48N8O6 and a molecular weight of 917.04 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID87319167
Molecular FormulaC55H48N8O6
Molecular Weight917.04 g/mol
Exact Mass916.37
IUPAC NameN-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone
SMILESCOCCNC(=O)c1ccc(-c2c(OC)ccc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1.COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C28H24N4O3.C27H24N4O3/c1-34-25-8-7-22-27(21-15-23(30-17-24(21)31-22)20-6-3-9-29-16-20)26(25)18-4-2-5-19(14-18)28(33)32-10-12-35-13-11-32;1-33-13-12-29-27(32)18-7-5-17(6-8-18)25-24(34-2)10-9-21-26(25)20-14-22(30-16-23(20)31-21)19-4-3-11-28-15-19/h2-9,14-17,31H,10-13H2,1H3;3-11,14-16,31H,12-13H2,1-2H3,(H,29,32)
InChIKeyPBFBOQXODCSLQW-UHFFFAOYSA-N
XLogP9.76
TPSA169.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.04
LogP ≤ 59.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone (CID 87319167) is N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone is COCCNC(=O)c1ccc(-c2c(OC)ccc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1.COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is PBFBOQXODCSLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3.C27H24N4O3/c1-34-25-8-7-22-27(21-15-23(30-17-24(21)31-22)20-6-3-9-29-16-20)26(25)18-4-2-5-19(14-18)28(33)32-10-12-35-13-11-32;1-33-13-12-29-27(32)18-7-5-17(6-8-18)25-24(34-2)10-9-21-26(25)20-14-22(30-16-23(20)31-21)19-4-3-11-28-15-19/h2-9,14-17,31H,10-13H2,1H3;3-11,14-16,31H,12-13H2,1-2H3,(H,29,32).
What are the key properties of N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone?
N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 917.04 g/mol, XLogP of 9.76, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide;[3-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 87319167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).