3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde

C17H14N2O4 — CID 76847933

IUPAC3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde
SMILESCOc1cc2ncnc(Oc3cccc(C=O)c3)c2cc1OC
InChIInChI=1S/C17H14N2O4/c1-21-15-7-13-14(8-16(15)22-2)18-10-19-17(13)23-12-5-3-4-11(6-12)9-20/h3-10H,1-2H3
InChIKeyVLKIMVNWJVBMOA-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.25
Rot. Bonds5

About 3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde

3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde (PubChem CID 76847933) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde.

Molecular Properties

Compound Name3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde
PubChem CID76847933
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde
SMILESCOc1cc2ncnc(Oc3cccc(C=O)c3)c2cc1OC
InChIInChI=1S/C17H14N2O4/c1-21-15-7-13-14(8-16(15)22-2)18-10-19-17(13)23-12-5-3-4-11(6-12)9-20/h3-10H,1-2H3
InChIKeyVLKIMVNWJVBMOA-UHFFFAOYSA-N
XLogP3.25
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.25
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

4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde
CID 133489416
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
CID 154966615
4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol
CID 137132890
N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide
CID 130343852
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
4-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 57394799
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 143865456
3-(3,5-dimethoxyphenoxy)benzaldehyde
CID 63944242
1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 172817866
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde?
The IUPAC name of 3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde (CID 76847933) is 3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde.
What is the SMILES notation for 3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde?
The canonical SMILES for 3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde is COc1cc2ncnc(Oc3cccc(C=O)c3)c2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde?
The InChIKey is VLKIMVNWJVBMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-21-15-7-13-14(8-16(15)22-2)18-10-19-17(13)23-12-5-3-4-11(6-12)9-20/h3-10H,1-2H3.
What are the key properties of 3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde?
3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde has a molecular weight of 310.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde is sourced from PubChem (CID 76847933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).