2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde

C19H17NO4 — CID 82039986

IUPAC2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
SMILESCOc1cc(-c2ccc(OC)c3ncccc23)cc(C=O)c1OC
InChIInChI=1S/C19H17NO4/c1-22-16-7-6-14(15-5-4-8-20-18(15)16)12-9-13(11-21)19(24-3)17(10-12)23-2/h4-11H,1-3H3
InChIKeyIVMDGVAAKUVQMO-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.74
Rot. Bonds5

About 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde

2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde (PubChem CID 82039986) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde.

Molecular Properties

Compound Name2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
PubChem CID82039986
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
SMILESCOc1cc(-c2ccc(OC)c3ncccc23)cc(C=O)c1OC
InChIInChI=1S/C19H17NO4/c1-22-16-7-6-14(15-5-4-8-20-18(15)16)12-9-13(11-21)19(24-3)17(10-12)23-2/h4-11H,1-3H3
InChIKeyIVMDGVAAKUVQMO-UHFFFAOYSA-N
XLogP3.74
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde 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

2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039992
3-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039973
2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde
CID 39226788
5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol
CID 142849594
3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile
CID 39231570
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
CID 82039787
2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine
CID 82039989
2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 56717633
3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde
CID 39225240
5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
CID 82038968
8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline
CID 56858566
4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide
CID 69175133

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde?
The IUPAC name of 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde (CID 82039986) is 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde.
What is the SMILES notation for 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde?
The canonical SMILES for 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde is COc1cc(-c2ccc(OC)c3ncccc23)cc(C=O)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde?
The InChIKey is IVMDGVAAKUVQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-22-16-7-6-14(15-5-4-8-20-18(15)16)12-9-13(11-21)19(24-3)17(10-12)23-2/h4-11H,1-3H3.
What are the key properties of 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde?
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde has a molecular weight of 323.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde is sourced from PubChem (CID 82039986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).