2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline

C15H10ClFN2O — CID 122648736

IUPAC2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline
SMILESCOc1ccccc1-c1cc(F)cc2cnc(Cl)nc12
InChIInChI=1S/C15H10ClFN2O/c1-20-13-5-3-2-4-11(13)12-7-10(17)6-9-8-18-15(16)19-14(9)12/h2-8H,1H3
InChIKeyIUVHXCXJPZFPIB-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.10
Rot. Bonds2

About 2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline

2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline (PubChem CID 122648736) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline.

Molecular Properties

Compound Name2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline
PubChem CID122648736
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline
SMILESCOc1ccccc1-c1cc(F)cc2cnc(Cl)nc12
InChIInChI=1S/C15H10ClFN2O/c1-20-13-5-3-2-4-11(13)12-7-10(17)6-9-8-18-15(16)19-14(9)12/h2-8H,1H3
InChIKeyIUVHXCXJPZFPIB-UHFFFAOYSA-N
XLogP4.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline?
The IUPAC name of 2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline (CID 122648736) is 2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline.
What is the SMILES notation for 2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline?
The canonical SMILES for 2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline is COc1ccccc1-c1cc(F)cc2cnc(Cl)nc12.
What is the InChIKey of 2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline?
The InChIKey is IUVHXCXJPZFPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c1-20-13-5-3-2-4-11(13)12-7-10(17)6-9-8-18-15(16)19-14(9)12/h2-8H,1H3.
What are the key properties of 2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline?
2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline has a molecular weight of 288.71 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline is sourced from PubChem (CID 122648736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).