2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide

C18H25N3O2 — CID 123264977

IUPAC2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide
SMILESCOCCNC(=O)c1cc2c(cc1C)=CCN(CC1CNC1)C=2
InChIInChI=1S/C18H25N3O2/c1-13-7-15-3-5-21(11-14-9-19-10-14)12-16(15)8-17(13)18(22)20-4-6-23-2/h3,7-8,12,14,19H,4-6,9-11H2,1-2H3,(H,20,22)
InChIKeyRCALMJSJAKWOQC-UHFFFAOYSA-N
MW315.42 g/mol
LogP-0.58
Rot. Bonds6

About 2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide

2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide (PubChem CID 123264977) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide
PubChem CID123264977
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide
SMILESCOCCNC(=O)c1cc2c(cc1C)=CCN(CC1CNC1)C=2
InChIInChI=1S/C18H25N3O2/c1-13-7-15-3-5-21(11-14-9-19-10-14)12-16(15)8-17(13)18(22)20-4-6-23-2/h3,7-8,12,14,19H,4-6,9-11H2,1-2H3,(H,20,22)
InChIKeyRCALMJSJAKWOQC-UHFFFAOYSA-N
XLogP-0.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-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

Related Compounds

2-(azetidin-3-ylmethyl)-8-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-3H-isoquinoline-7-carboxamide
CID 123788739
(3Z)-3-[[[1-[6-fluoro-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]azetidin-3-yl]methyl-methylamino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 134188722
azetidin-3-ylmethanamine;(3Z)-3-butylidene-N-[2-(1,1-difluoroethoxy)ethyl]-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 144747372
(3Z)-N-[2-(1,1-difluoroethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747832
2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-8-methyl-3H-isoquinoline-7-carboxamide
CID 123284524
N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide
CID 123654583
2-(azetidin-3-ylmethyl)-N-(2-cyclopropyloxyethyl)-8-methylisoquinoline-7-carboxamide
CID 124021395
Tert-butyl 3-[[8-(2-methoxyethylcarbamoyl)-3,7-dimethyl-3,4-dihydro-2-benzazepin-2-yl]methyl]azetidine-1-carboxylate
CID 124033930
(3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 134188878
(3E)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-2-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 134188969
tert-butyl 3-[[[(E)-[3-[2-(cyclopropylmethoxy)ethylcarbamoyl]-4-methylcyclohexa-2,4-dien-1-ylidene]methyl]amino]methyl]azetidine-1-carboxylate
CID 134189016
2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide
CID 143442159

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide?
The IUPAC name of 2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide (CID 123264977) is 2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide is COCCNC(=O)c1cc2c(cc1C)=CCN(CC1CNC1)C=2.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide?
The InChIKey is RCALMJSJAKWOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-7-15-3-5-21(11-14-9-19-10-14)12-16(15)8-17(13)18(22)20-4-6-23-2/h3,7-8,12,14,19H,4-6,9-11H2,1-2H3,(H,20,22).
What are the key properties of 2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide?
2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide has a molecular weight of 315.42 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide is sourced from PubChem (CID 123264977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).