4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline

C15H9ClF2N2 — CID 63085684

IUPAC4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
SMILESCc1cccc2c(Cl)nc(-c3c(F)cccc3F)nc12
InChIInChI=1S/C15H9ClF2N2/c1-8-4-2-5-9-13(8)19-15(20-14(9)16)12-10(17)6-3-7-11(12)18/h2-7H,1H3
InChIKeyYMUFSBCLUJQDJY-UHFFFAOYSA-N
MW290.70 g/mol
LogP4.54
Rot. Bonds1

About 4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline

4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline (PubChem CID 63085684) has the molecular formula C15H9ClF2N2 and a molecular weight of 290.70 g/mol. Its IUPAC name is 4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
PubChem CID63085684
Molecular FormulaC15H9ClF2N2
Molecular Weight290.70 g/mol
Exact Mass290.04
IUPAC Name4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
SMILESCc1cccc2c(Cl)nc(-c3c(F)cccc3F)nc12
InChIInChI=1S/C15H9ClF2N2/c1-8-4-2-5-9-13(8)19-15(20-14(9)16)12-10(17)6-3-7-11(12)18/h2-7H,1H3
InChIKeyYMUFSBCLUJQDJY-UHFFFAOYSA-N
XLogP4.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline?
The IUPAC name of 4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline (CID 63085684) is 4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline?
The canonical SMILES for 4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline is Cc1cccc2c(Cl)nc(-c3c(F)cccc3F)nc12.
What is the InChIKey of 4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline?
The InChIKey is YMUFSBCLUJQDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2/c1-8-4-2-5-9-13(8)19-15(20-14(9)16)12-10(17)6-3-7-11(12)18/h2-7H,1H3.
What are the key properties of 4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline?
4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline has a molecular weight of 290.70 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline is sourced from PubChem (CID 63085684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).