2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

C18H20N2O4 — CID 110878103

IUPAC2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCN(CCO)C(=O)C1Cc2ccccc2CN1C(=O)c1ccco1
InChIInChI=1S/C18H20N2O4/c1-19(8-9-21)17(22)15-11-13-5-2-3-6-14(13)12-20(15)18(23)16-7-4-10-24-16/h2-7,10,15,21H,8-9,11-12H2,1H3
InChIKeyWQFZRAAOLNVLRU-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.30
Rot. Bonds4

About 2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 110878103) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID110878103
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCN(CCO)C(=O)C1Cc2ccccc2CN1C(=O)c1ccco1
InChIInChI=1S/C18H20N2O4/c1-19(8-9-21)17(22)15-11-13-5-2-3-6-14(13)12-20(15)18(23)16-7-4-10-24-16/h2-7,10,15,21H,8-9,11-12H2,1H3
InChIKeyWQFZRAAOLNVLRU-UHFFFAOYSA-N
XLogP1.30
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-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

N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119660086
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 55399470
azepan-1-yl-[(3R)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone
CID 51708187
2-(furan-2-carbonyl)-N-(3-hydroxybutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 111433428
N-(3-aminopropyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119407689
(4-benzylpiperazin-1-yl)-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone
CID 43008282
(3S)-2-(furan-2-carbonyl)-N-(4-methylcyclohexyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 30769303
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] (3S)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 55937153
(3R)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 39962069
(3R)-N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 39962071
N-(4-anilinophenyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 46554451
(3R)-N-benzhydryl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41114850

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 110878103) is 2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is CN(CCO)C(=O)C1Cc2ccccc2CN1C(=O)c1ccco1.
What is the InChIKey of 2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is WQFZRAAOLNVLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-19(8-9-21)17(22)15-11-13-5-2-3-6-14(13)12-20(15)18(23)16-7-4-10-24-16/h2-7,10,15,21H,8-9,11-12H2,1H3.
What are the key properties of 2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 110878103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).