N-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide

C28H28N2O5 — CID 15995827

IUPACN-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
SMILESCCOc1ccccc1NC(=O)C1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3C12
InChIInChI=1S/C28H28N2O5/c1-4-35-22-12-8-7-11-21(22)29-27(31)25-19-15-23(33-2)24(34-3)16-20(19)28(32)30-14-13-17-9-5-6-10-18(17)26(25)30/h5-12,15-16,25-26H,4,13-14H2,1-3H3,(H,29,31)
InChIKeyPJHNRJZOUKLFFO-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.58
Rot. Bonds6

About N-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide

N-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide (PubChem CID 15995827) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
PubChem CID15995827
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC NameN-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
SMILESCCOc1ccccc1NC(=O)C1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3C12
InChIInChI=1S/C28H28N2O5/c1-4-35-22-12-8-7-11-21(22)29-27(31)25-19-15-23(33-2)24(34-3)16-20(19)28(32)30-14-13-17-9-5-6-10-18(17)26(25)30/h5-12,15-16,25-26H,4,13-14H2,1-3H3,(H,29,31)
InChIKeyPJHNRJZOUKLFFO-UHFFFAOYSA-N
XLogP4.58
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-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-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide (CID 15995827) is N-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide is CCOc1ccccc1NC(=O)C1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3C12.
What is the InChIKey of N-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide?
The InChIKey is PJHNRJZOUKLFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-4-35-22-12-8-7-11-21(22)29-27(31)25-19-15-23(33-2)24(34-3)16-20(19)28(32)30-14-13-17-9-5-6-10-18(17)26(25)30/h5-12,15-16,25-26H,4,13-14H2,1-3H3,(H,29,31).
What are the key properties of N-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide?
N-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide is sourced from PubChem (CID 15995827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).