N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide

C27H20N4O3 — CID 15284610

IUPACN-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1ccc2c(c1)N(c1ccccc1)C(=O)C2NC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C27H20N4O3/c1-34-17-11-12-19-24(13-17)31(16-7-3-2-4-8-16)27(33)25(19)30-26(32)22-14-20-18-9-5-6-10-21(18)29-23(20)15-28-22/h2-15,25,29H,1H3,(H,30,32)
InChIKeyMACKKOJIENAJTO-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.87
Rot. Bonds4

About N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide

N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 15284610) has the molecular formula C27H20N4O3 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID15284610
Molecular FormulaC27H20N4O3
Molecular Weight448.48 g/mol
Exact Mass448.15
IUPAC NameN-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1ccc2c(c1)N(c1ccccc1)C(=O)C2NC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C27H20N4O3/c1-34-17-11-12-19-24(13-17)31(16-7-3-2-4-8-16)27(33)25(19)30-26(32)22-14-20-18-9-5-6-10-21(18)29-23(20)15-28-22/h2-15,25,29H,1H3,(H,30,32)
InChIKeyMACKKOJIENAJTO-UHFFFAOYSA-N
XLogP4.87
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide 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-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 15284610) is N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide is COc1ccc2c(c1)N(c1ccccc1)C(=O)C2NC(=O)c1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is MACKKOJIENAJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O3/c1-34-17-11-12-19-24(13-17)31(16-7-3-2-4-8-16)27(33)25(19)30-26(32)22-14-20-18-9-5-6-10-21(18)29-23(20)15-28-22/h2-15,25,29H,1H3,(H,30,32).
What are the key properties of N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide?
N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 15284610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).