3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde

C16H11FN2O2 — CID 133417122

IUPAC3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde
SMILESCc1cccc2c(Oc3ccc(C=O)cc3F)ncnc12
InChIInChI=1S/C16H11FN2O2/c1-10-3-2-4-12-15(10)18-9-19-16(12)21-14-6-5-11(8-20)7-13(14)17/h2-9H,1H3
InChIKeyLZMQNZOMHBQESW-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.68
Rot. Bonds3

About 3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde

3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde (PubChem CID 133417122) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde
PubChem CID133417122
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde
SMILESCc1cccc2c(Oc3ccc(C=O)cc3F)ncnc12
InChIInChI=1S/C16H11FN2O2/c1-10-3-2-4-12-15(10)18-9-19-16(12)21-14-6-5-11(8-20)7-13(14)17/h2-9H,1H3
InChIKeyLZMQNZOMHBQESW-UHFFFAOYSA-N
XLogP3.68
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde
CID 29272244
8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
CID 133391380
4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde
CID 133489416
4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde
CID 81446712
2-(2,4-difluorophenoxy)-4,8-dimethylquinoline
CID 3838364
4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline
CID 133384134
3-fluoro-4-(3-methylsulfonylphenoxy)benzaldehyde
CID 43807105
3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde
CID 76847933
3-fluoro-4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzaldehyde
CID 86616640
4-(ethoxymethoxy)-3-fluorobenzaldehyde
CID 107689657
4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
CID 63877969
2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile
CID 43609110

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde?
The IUPAC name of 3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde (CID 133417122) is 3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde.
What is the SMILES notation for 3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde?
The canonical SMILES for 3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde is Cc1cccc2c(Oc3ccc(C=O)cc3F)ncnc12.
What is the InChIKey of 3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde?
The InChIKey is LZMQNZOMHBQESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c1-10-3-2-4-12-15(10)18-9-19-16(12)21-14-6-5-11(8-20)7-13(14)17/h2-9H,1H3.
What are the key properties of 3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde?
3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde has a molecular weight of 282.27 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde is sourced from PubChem (CID 133417122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).