2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde

C19H17NO5 — CID 23078274

IUPAC2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(Oc2ccnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C19H17NO5/c1-22-13-5-4-12(11-21)17(8-13)25-16-6-7-20-15-10-19(24-3)18(23-2)9-14(15)16/h4-11H,1-3H3
InChIKeyDYUPFVYMRQGGCV-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.87
Rot. Bonds6

About 2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde

2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde (PubChem CID 23078274) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde
PubChem CID23078274
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(Oc2ccnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C19H17NO5/c1-22-13-5-4-12(11-21)17(8-13)25-16-6-7-20-15-10-19(24-3)18(23-2)9-14(15)16/h4-11H,1-3H3
InChIKeyDYUPFVYMRQGGCV-UHFFFAOYSA-N
XLogP3.87
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone
CID 24879272
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
methane;4,6,7-trimethoxyquinoline
CID 157066291
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane
CID 145166636
4,7-dimethoxyquinoline
CID 20743716
N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide
CID 146574108
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
CID 155331458
4-methoxy-2-(3-methoxyphenoxy)benzaldehyde
CID 122403845

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde?
The IUPAC name of 2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde (CID 23078274) is 2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde.
What is the SMILES notation for 2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde?
The canonical SMILES for 2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde is COc1ccc(C=O)c(Oc2ccnc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of 2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde?
The InChIKey is DYUPFVYMRQGGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-22-13-5-4-12(11-21)17(8-13)25-16-6-7-20-15-10-19(24-3)18(23-2)9-14(15)16/h4-11H,1-3H3.
What are the key properties of 2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde?
2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde has a molecular weight of 339.35 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde is sourced from PubChem (CID 23078274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).