4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline

C15H9Cl2FN2 — CID 81453930

IUPAC4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
SMILESCc1cccc2c(Cl)nc(-c3cccc(F)c3Cl)nc12
InChIInChI=1S/C15H9Cl2FN2/c1-8-4-2-6-10-13(8)19-15(20-14(10)17)9-5-3-7-11(18)12(9)16/h2-7H,1H3
InChIKeyVOYHDKAQRAMKFK-UHFFFAOYSA-N
MW307.16 g/mol
LogP5.05
Rot. Bonds1

About 4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline

4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline (PubChem CID 81453930) has the molecular formula C15H9Cl2FN2 and a molecular weight of 307.16 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
PubChem CID81453930
Molecular FormulaC15H9Cl2FN2
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
SMILESCc1cccc2c(Cl)nc(-c3cccc(F)c3Cl)nc12
InChIInChI=1S/C15H9Cl2FN2/c1-8-4-2-6-10-13(8)19-15(20-14(10)17)9-5-3-7-11(18)12(9)16/h2-7H,1H3
InChIKeyVOYHDKAQRAMKFK-UHFFFAOYSA-N
XLogP5.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.16
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline?
The IUPAC name of 4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline (CID 81453930) is 4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline?
The canonical SMILES for 4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline is Cc1cccc2c(Cl)nc(-c3cccc(F)c3Cl)nc12.
What is the InChIKey of 4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline?
The InChIKey is VOYHDKAQRAMKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2/c1-8-4-2-6-10-13(8)19-15(20-14(10)17)9-5-3-7-11(18)12(9)16/h2-7H,1H3.
What are the key properties of 4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline?
4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline has a molecular weight of 307.16 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline is sourced from PubChem (CID 81453930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).