N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide

C27H23N3O4 — CID 122603397

IUPACN-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=C(CCC=C3)C(=O)C21NC(=O)c1cnnc2ccccc12
InChIInChI=1S/C27H23N3O4/c1-15(2)16-11-12-21-23(13-16)34-27(33)20-9-5-3-8-18(20)24(31)26(21,27)29-25(32)19-14-28-30-22-10-6-4-7-17(19)22/h4-7,9-15,33H,3,8H2,1-2H3,(H,29,32)
InChIKeyHMHIVTMLJJYIIQ-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.69
Rot. Bonds3

About N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide

N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide (PubChem CID 122603397) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide.

Molecular Properties

Compound NameN-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide
PubChem CID122603397
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC NameN-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=C(CCC=C3)C(=O)C21NC(=O)c1cnnc2ccccc12
InChIInChI=1S/C27H23N3O4/c1-15(2)16-11-12-21-23(13-16)34-27(33)20-9-5-3-8-18(20)24(31)26(21,27)29-25(32)19-14-28-30-22-10-6-4-7-17(19)22/h4-7,9-15,33H,3,8H2,1-2H3,(H,29,32)
InChIKeyHMHIVTMLJJYIIQ-UHFFFAOYSA-N
XLogP3.69
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-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-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide?
The IUPAC name of N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide (CID 122603397) is N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide.
What is the SMILES notation for N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide?
The canonical SMILES for N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide is CC(C)c1ccc2c(c1)OC1(O)C3=C(CCC=C3)C(=O)C21NC(=O)c1cnnc2ccccc12.
What is the InChIKey of N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide?
The InChIKey is HMHIVTMLJJYIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-15(2)16-11-12-21-23(13-16)34-27(33)20-9-5-3-8-18(20)24(31)26(21,27)29-25(32)19-14-28-30-22-10-6-4-7-17(19)22/h4-7,9-15,33H,3,8H2,1-2H3,(H,29,32).
What are the key properties of N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide?
N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide is sourced from PubChem (CID 122603397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).