4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde

C16H11FN2O3 — CID 133489416

IUPAC4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde
SMILESCOc1cc2c(Oc3ccc(C=O)cc3)ncnc2cc1F
InChIInChI=1S/C16H11FN2O3/c1-21-15-6-12-14(7-13(15)17)18-9-19-16(12)22-11-4-2-10(8-20)3-5-11/h2-9H,1H3
InChIKeyGTOLWLPHIGQDNY-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.38
Rot. Bonds4

About 4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde

4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde (PubChem CID 133489416) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde.

Molecular Properties

Compound Name4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde
PubChem CID133489416
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde
SMILESCOc1cc2c(Oc3ccc(C=O)cc3)ncnc2cc1F
InChIInChI=1S/C16H11FN2O3/c1-21-15-6-12-14(7-13(15)17)18-9-19-16(12)22-11-4-2-10(8-20)3-5-11/h2-9H,1H3
InChIKeyGTOLWLPHIGQDNY-UHFFFAOYSA-N
XLogP3.38
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde
CID 76847933
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
CID 154966615
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane
CID 144548495
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
(E)-3-[4-(4-chloro-2-fluorophenoxy)-6-methoxyquinazolin-7-yl]prop-2-enoic acid
CID 22030956
3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde
CID 133417122
N-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2,4-difluorophenyl]hydroxylamine
CID 118527987
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
tert-butyl 3-[4-(4-chloro-2-fluorophenoxy)-6-methoxyquinazolin-7-yl]prop-2-enoate
CID 54004634
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde?
The IUPAC name of 4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde (CID 133489416) is 4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde.
What is the SMILES notation for 4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde?
The canonical SMILES for 4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde is COc1cc2c(Oc3ccc(C=O)cc3)ncnc2cc1F.
What is the InChIKey of 4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde?
The InChIKey is GTOLWLPHIGQDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c1-21-15-6-12-14(7-13(15)17)18-9-19-16(12)22-11-4-2-10(8-20)3-5-11/h2-9H,1H3.
What are the key properties of 4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde?
4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde has a molecular weight of 298.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde is sourced from PubChem (CID 133489416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).