3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone

C22H21NO4 — CID 1084331

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone
SMILESCOc1ccccc1OCc1ccc(C(=O)N2CCc3ccccc3C2)o1
InChIInChI=1S/C22H21NO4/c1-25-19-8-4-5-9-20(19)26-15-18-10-11-21(27-18)22(24)23-13-12-16-6-2-3-7-17(16)14-23/h2-11H,12-15H2,1H3
InChIKeyWNLZHVLETKNLBW-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.07
Rot. Bonds5

About 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone (PubChem CID 1084331) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone
PubChem CID1084331
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone
SMILESCOc1ccccc1OCc1ccc(C(=O)N2CCc3ccccc3C2)o1
InChIInChI=1S/C22H21NO4/c1-25-19-8-4-5-9-20(19)26-15-18-10-11-21(27-18)22(24)23-13-12-16-6-2-3-7-17(16)14-23/h2-11H,12-15H2,1H3
InChIKeyWNLZHVLETKNLBW-UHFFFAOYSA-N
XLogP4.07
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone with MolForge

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Related Compounds

[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 1084341
[5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3665468
(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 125415613
5-[(2-methoxyphenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 3542536
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914855
[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55762699
tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate
CID 55870043
[5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 4270423
3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone
CID 42750729
1-[3-fluoro-4-[4-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55760106
(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(phenoxymethyl)furan-2-yl]methanone
CID 43066677
methyl 5-[[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]furan-2-carboxylate
CID 7292989

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone (CID 1084331) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone is COc1ccccc1OCc1ccc(C(=O)N2CCc3ccccc3C2)o1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone?
The InChIKey is WNLZHVLETKNLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-25-19-8-4-5-9-20(19)26-15-18-10-11-21(27-18)22(24)23-13-12-16-6-2-3-7-17(16)14-23/h2-11H,12-15H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone has a molecular weight of 363.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 1084331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).