4-chloro-8-fluoro-5-methylquinazoline

C9H6ClFN2 — CID 104782222

IUPAC4-chloro-8-fluoro-5-methylquinazoline
SMILESCc1ccc(F)c2ncnc(Cl)c12
InChIInChI=1S/C9H6ClFN2/c1-5-2-3-6(11)8-7(5)9(10)13-4-12-8/h2-4H,1H3
InChIKeyMOOFGJXWVQJGSU-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.73
Rot. Bonds

About 4-chloro-8-fluoro-5-methylquinazoline

4-chloro-8-fluoro-5-methylquinazoline (PubChem CID 104782222) has the molecular formula C9H6ClFN2 and a molecular weight of 196.61 g/mol. Its IUPAC name is 4-chloro-8-fluoro-5-methylquinazoline.

Molecular Properties

Compound Name4-chloro-8-fluoro-5-methylquinazoline
PubChem CID104782222
Molecular FormulaC9H6ClFN2
Molecular Weight196.61 g/mol
Exact Mass196.02
IUPAC Name4-chloro-8-fluoro-5-methylquinazoline
SMILESCc1ccc(F)c2ncnc(Cl)c12
InChIInChI=1S/C9H6ClFN2/c1-5-2-3-6(11)8-7(5)9(10)13-4-12-8/h2-4H,1H3
InChIKeyMOOFGJXWVQJGSU-UHFFFAOYSA-N
XLogP2.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-fluoro-5-methylquinazoline?
The IUPAC name of 4-chloro-8-fluoro-5-methylquinazoline (CID 104782222) is 4-chloro-8-fluoro-5-methylquinazoline.
What is the SMILES notation for 4-chloro-8-fluoro-5-methylquinazoline?
The canonical SMILES for 4-chloro-8-fluoro-5-methylquinazoline is Cc1ccc(F)c2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-8-fluoro-5-methylquinazoline?
The InChIKey is MOOFGJXWVQJGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2/c1-5-2-3-6(11)8-7(5)9(10)13-4-12-8/h2-4H,1H3.
What are the key properties of 4-chloro-8-fluoro-5-methylquinazoline?
4-chloro-8-fluoro-5-methylquinazoline has a molecular weight of 196.61 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-fluoro-5-methylquinazoline is sourced from PubChem (CID 104782222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).