(2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C25H33NO4 — CID 143655121

IUPAC(2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCCC(CO)c1ccc2c(c1)CN(C(=O)c1cc(C(C)C)c(OC)cc1OC)CC2
InChIInChI=1S/C25H33NO4/c1-6-17(15-27)19-8-7-18-9-10-26(14-20(18)11-19)25(28)22-12-21(16(2)3)23(29-4)13-24(22)30-5/h7-8,11-13,16-17,27H,6,9-10,14-15H2,1-5H3
InChIKeyVFIIMPAWFCOKDP-UHFFFAOYSA-N
MW411.54 g/mol
LogP4.51
Rot. Bonds7

About (2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 143655121) has the molecular formula C25H33NO4 and a molecular weight of 411.54 g/mol. Its IUPAC name is (2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID143655121
Molecular FormulaC25H33NO4
Molecular Weight411.54 g/mol
Exact Mass411.24
IUPAC Name(2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCCC(CO)c1ccc2c(c1)CN(C(=O)c1cc(C(C)C)c(OC)cc1OC)CC2
InChIInChI=1S/C25H33NO4/c1-6-17(15-27)19-8-7-18-9-10-26(14-20(18)11-19)25(28)22-12-21(16(2)3)23(29-4)13-24(22)30-5/h7-8,11-13,16-17,27H,6,9-10,14-15H2,1-5H3
InChIKeyVFIIMPAWFCOKDP-UHFFFAOYSA-N
XLogP4.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone 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

3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone
CID 9113222
ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone
CID 176552286
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 18118711
2-(butan-2-ylamino)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 108993364
1-[7-(1-aminopropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one
CID 82175636
(2-fluorophenyl)-[7-(1-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 82175783
(4-ethylpiperazin-1-yl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 95970589
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 8636695
[5-hydroxy-2-(trifluoromethyl)phenyl]-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 166331683
methyl 2-[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-1,3-dihydroisoindole-5-carboxylate
CID 46914878
tert-butyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84569944
methyl 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 68508040

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 143655121) is (2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is CCC(CO)c1ccc2c(c1)CN(C(=O)c1cc(C(C)C)c(OC)cc1OC)CC2.
What is the InChIKey of (2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is VFIIMPAWFCOKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO4/c1-6-17(15-27)19-8-7-18-9-10-26(14-20(18)11-19)25(28)22-12-21(16(2)3)23(29-4)13-24(22)30-5/h7-8,11-13,16-17,27H,6,9-10,14-15H2,1-5H3.
What are the key properties of (2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 411.54 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxy-5-propan-2-ylphenyl)-[7-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 143655121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).