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

C26H30N2O3 — CID 42750729

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone
SMILESCOc1cccc(CN(Cc2ccc(C(=O)N3CCc4ccccc4C3)o2)C(C)C)c1
InChIInChI=1S/C26H30N2O3/c1-19(2)28(16-20-7-6-10-23(15-20)30-3)18-24-11-12-25(31-24)26(29)27-14-13-21-8-4-5-9-22(21)17-27/h4-12,15,19H,13-14,16-18H2,1-3H3
InChIKeyQAUIAGAMUJFBEI-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.90
Rot. Bonds7

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

3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone (PubChem CID 42750729) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone
PubChem CID42750729
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone
SMILESCOc1cccc(CN(Cc2ccc(C(=O)N3CCc4ccccc4C3)o2)C(C)C)c1
InChIInChI=1S/C26H30N2O3/c1-19(2)28(16-20-7-6-10-23(15-20)30-3)18-24-11-12-25(31-24)26(29)27-14-13-21-8-4-5-9-22(21)17-27/h4-12,15,19H,13-14,16-18H2,1-3H3
InChIKeyQAUIAGAMUJFBEI-UHFFFAOYSA-N
XLogP4.90
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

[5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3665468
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone
CID 1084331
(4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone
CID 42750794
[5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 4270423
[5-[[(3-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 1200054
[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3689818
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63578444
[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3898909
3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]methanone
CID 109308091
[5-[[benzyl(propan-2-yl)amino]methyl]furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 42659378
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3747490
1-[4-[5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 4029039

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone (CID 42750729) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone is COc1cccc(CN(Cc2ccc(C(=O)N3CCc4ccccc4C3)o2)C(C)C)c1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone?
The InChIKey is QAUIAGAMUJFBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-19(2)28(16-20-7-6-10-23(15-20)30-3)18-24-11-12-25(31-24)26(29)27-14-13-21-8-4-5-9-22(21)17-27/h4-12,15,19H,13-14,16-18H2,1-3H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone has a molecular weight of 418.54 g/mol, XLogP of 4.90, 7 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-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone is sourced from PubChem (CID 42750729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).