N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide

C17H18N2O4 — CID 16943271

IUPACN-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2
InChIInChI=1S/C17H18N2O4/c1-22-11-16(20)18-14-5-4-12-6-7-19(10-13(12)9-14)17(21)15-3-2-8-23-15/h2-5,8-9H,6-7,10-11H2,1H3,(H,18,20)
InChIKeyWWJHRDOQDSIPPV-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide

N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide (PubChem CID 16943271) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide
PubChem CID16943271
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2
InChIInChI=1S/C17H18N2O4/c1-22-11-16(20)18-14-5-4-12-6-7-19(10-13(12)9-14)17(21)15-3-2-8-23-15/h2-5,8-9H,6-7,10-11H2,1H3,(H,18,20)
InChIKeyWWJHRDOQDSIPPV-UHFFFAOYSA-N
XLogP2.06
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methylphenoxy)acetamide
CID 16943302
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide
CID 16943190
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide
CID 16943212
2-(2-chlorophenoxy)-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16943317
methyl 7-[(2-methoxyacetyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034747
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methoxyacetamide
CID 7517324
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide
CID 16943267
3,4-dichloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943248
1-bromo-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide
CID 16944023
2,5-dichloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943244
furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47284651
methyl 7-[(2-benzylsulfanylacetyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 71779286

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide (CID 16943271) is N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide is COCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2.
What is the InChIKey of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide?
The InChIKey is WWJHRDOQDSIPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-11-16(20)18-14-5-4-12-6-7-19(10-13(12)9-14)17(21)15-3-2-8-23-15/h2-5,8-9H,6-7,10-11H2,1H3,(H,18,20).
What are the key properties of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide?
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide has a molecular weight of 314.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide is sourced from PubChem (CID 16943271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).