4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde

C20H19NO4 — CID 135290952

IUPAC4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde
SMILESCOc1cc(Cc2nccc3cc(OC)c(OC)cc23)ccc1C=O
InChIInChI=1S/C20H19NO4/c1-23-18-9-13(4-5-15(18)12-22)8-17-16-11-20(25-3)19(24-2)10-14(16)6-7-21-17/h4-7,9-12H,8H2,1-3H3
InChIKeyVPCKDKDJGXHFOA-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.66
Rot. Bonds6

About 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde

4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde (PubChem CID 135290952) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde
PubChem CID135290952
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde
SMILESCOc1cc(Cc2nccc3cc(OC)c(OC)cc23)ccc1C=O
InChIInChI=1S/C20H19NO4/c1-23-18-9-13(4-5-15(18)12-22)8-17-16-11-20(25-3)19(24-2)10-14(16)6-7-21-17/h4-7,9-12H,8H2,1-3H3
InChIKeyVPCKDKDJGXHFOA-UHFFFAOYSA-N
XLogP3.66
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde 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

1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline
CID 153397750
1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]-6,7-dimethoxyisoquinoline;oxalic acid
CID 54576314
1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine
CID 116995176
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione;hydrochloride
CID 69459631
6,7-dimethoxy-1-[(3-propan-2-yloxyphenyl)methyl]isoquinoline
CID 150556575
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol
CID 174897371
2-(6,7-dimethoxyisoquinolin-1-yl)ethanol
CID 116995192
4-(chloromethyl)-2-methoxybenzaldehyde
CID 141225522
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[1-[(3,4-dimethoxyphenyl)methyl]-7-methoxyisoquinolin-6-yl]oxyoxane-2-carboxylate
CID 71315397
6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline
CID 66606569
5-[(3-methoxy-4-propoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline;phosphoric acid
CID 24837672
4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol
CID 101394802

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde?
The IUPAC name of 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde (CID 135290952) is 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde.
What is the SMILES notation for 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde?
The canonical SMILES for 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde is COc1cc(Cc2nccc3cc(OC)c(OC)cc23)ccc1C=O.
What is the InChIKey of 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde?
The InChIKey is VPCKDKDJGXHFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-18-9-13(4-5-15(18)12-22)8-17-16-11-20(25-3)19(24-2)10-14(16)6-7-21-17/h4-7,9-12H,8H2,1-3H3.
What are the key properties of 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde?
4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde has a molecular weight of 337.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde is sourced from PubChem (CID 135290952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).