N-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide

C23H27N3O2 — CID 11516388

IUPACN-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide
SMILESCOCCNC(=O)c1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)C2
InChIInChI=1S/C23H27N3O2/c1-15-16(2)26-14-21(23(27)24-11-12-28-3)19-10-9-18(13-20(19)22(26)25-15)17-7-5-4-6-8-17/h4-8,14,18H,9-13H2,1-3H3,(H,24,27)
InChIKeyKBKZZAJJIHSSAB-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.60
Rot. Bonds5

About N-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide

N-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide (PubChem CID 11516388) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide
PubChem CID11516388
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide
SMILESCOCCNC(=O)c1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)C2
InChIInChI=1S/C23H27N3O2/c1-15-16(2)26-14-21(23(27)24-11-12-28-3)19-10-9-18(13-20(19)22(26)25-15)17-7-5-4-6-8-17/h4-8,14,18H,9-13H2,1-3H3,(H,24,27)
InChIKeyKBKZZAJJIHSSAB-UHFFFAOYSA-N
XLogP3.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-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-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide (CID 11516388) is N-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide is COCCNC(=O)c1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)C2.
What is the InChIKey of N-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide?
The InChIKey is KBKZZAJJIHSSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-16(2)26-14-21(23(27)24-11-12-28-3)19-10-9-18(13-20(19)22(26)25-15)17-7-5-4-6-8-17/h4-8,14,18H,9-13H2,1-3H3,(H,24,27).
What are the key properties of N-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide?
N-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-6-carboxamide is sourced from PubChem (CID 11516388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).