N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide

C19H25N3O2 — CID 123654583

IUPACN-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1C)=CN(CC1CCNC1)C=C=2
InChIInChI=1S/C19H25N3O2/c1-14-17(19(23)21-8-10-24-2)4-3-16-6-9-22(13-18(14)16)12-15-5-7-20-11-15/h3-4,9,13,15,20H,5,7-8,10-12H2,1-2H3,(H,21,23)
InChIKeyAECWQVVGCRLNNC-UHFFFAOYSA-N
MW327.43 g/mol
LogP-0.07
Rot. Bonds6

About N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide

N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide (PubChem CID 123654583) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide
PubChem CID123654583
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1C)=CN(CC1CCNC1)C=C=2
InChIInChI=1S/C19H25N3O2/c1-14-17(19(23)21-8-10-24-2)4-3-16-6-9-22(13-18(14)16)12-15-5-7-20-11-15/h3-4,9,13,15,20H,5,7-8,10-12H2,1-2H3,(H,21,23)
InChIKeyAECWQVVGCRLNNC-UHFFFAOYSA-N
XLogP-0.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-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)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide (CID 123654583) is N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide is COCCNC(=O)c1ccc2c(c1C)=CN(CC1CCNC1)C=C=2.
What is the InChIKey of N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide?
The InChIKey is AECWQVVGCRLNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-17(19(23)21-8-10-24-2)4-3-16-6-9-22(13-18(14)16)12-15-5-7-20-11-15/h3-4,9,13,15,20H,5,7-8,10-12H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide?
N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide has a molecular weight of 327.43 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide is sourced from PubChem (CID 123654583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).