3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone

C21H18N2O2 — CID 3236996

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone
SMILESCn1c(C(=O)N2CCc3ccccc3C2)cc2oc3ccccc3c21
InChIInChI=1S/C21H18N2O2/c1-22-17(12-19-20(22)16-8-4-5-9-18(16)25-19)21(24)23-11-10-14-6-2-3-7-15(14)13-23/h2-9,12H,10-11,13H2,1H3
InChIKeyLUAKKOFCERIFEM-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.12
Rot. Bonds1

About 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone (PubChem CID 3236996) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone
PubChem CID3236996
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone
SMILESCn1c(C(=O)N2CCc3ccccc3C2)cc2oc3ccccc3c21
InChIInChI=1S/C21H18N2O2/c1-22-17(12-19-20(22)16-8-4-5-9-18(16)25-19)21(24)23-11-10-14-6-2-3-7-15(14)13-23/h2-9,12H,10-11,13H2,1H3
InChIKeyLUAKKOFCERIFEM-UHFFFAOYSA-N
XLogP4.12
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide
CID 10592763
N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine
CID 11709518
N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-diethylethane-1,2-diamine
CID 44420781
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester
CID 3236476
N-(2,3-dimethoxybenzyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 3237615
1-[2-(2-Methoxyanilino)-2-oxoethyl]-2-benzofuro[3,2-b]pyrrolecarboxylic acid methyl ester
CID 3238241
methyl 1-(pyridin-2-ylmethyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
CID 3238867
1-methyl-N-(tetrahydrofuran-2-ylmethyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 3241097
1-methyl-N-(thien-2-ylmethyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 3242499
7-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
CID 3245317
7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-methyl-2-oxoethyl]-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
CID 3245936
3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
CID 5309080

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone (CID 3236996) is 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone is Cn1c(C(=O)N2CCc3ccccc3C2)cc2oc3ccccc3c21.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone?
The InChIKey is LUAKKOFCERIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-22-17(12-19-20(22)16-8-4-5-9-18(16)25-19)21(24)23-11-10-14-6-2-3-7-15(14)13-23/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone is sourced from PubChem (CID 3236996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).