4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline

C15H8Cl2F2N2 — CID 114589521

IUPAC4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline
SMILESCc1c(Cl)ccc2c(Cl)nc(-c3cc(F)cc(F)c3)nc12
InChIInChI=1S/C15H8Cl2F2N2/c1-7-12(16)3-2-11-13(7)20-15(21-14(11)17)8-4-9(18)6-10(19)5-8/h2-6H,1H3
InChIKeyWGZFVWBTCFDPOO-UHFFFAOYSA-N
MW325.15 g/mol
LogP5.19
Rot. Bonds1

About 4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline

4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline (PubChem CID 114589521) has the molecular formula C15H8Cl2F2N2 and a molecular weight of 325.15 g/mol. Its IUPAC name is 4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline.

Molecular Properties

Compound Name4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline
PubChem CID114589521
Molecular FormulaC15H8Cl2F2N2
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline
SMILESCc1c(Cl)ccc2c(Cl)nc(-c3cc(F)cc(F)c3)nc12
InChIInChI=1S/C15H8Cl2F2N2/c1-7-12(16)3-2-11-13(7)20-15(21-14(11)17)8-4-9(18)6-10(19)5-8/h2-6H,1H3
InChIKeyWGZFVWBTCFDPOO-UHFFFAOYSA-N
XLogP5.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.15
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline
CID 114589554
4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline
CID 114589505
4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline
CID 114589548
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
CID 114591452
2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline
CID 114591476
4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
CID 114590868
4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591446
4,6-dichloro-2-(3,5-difluorophenyl)quinazoline
CID 63085337
2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine
CID 79690163
4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline
CID 114591652
2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine
CID 66426213
4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 63496972

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline?
The IUPAC name of 4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline (CID 114589521) is 4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline.
What is the SMILES notation for 4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline?
The canonical SMILES for 4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline is Cc1c(Cl)ccc2c(Cl)nc(-c3cc(F)cc(F)c3)nc12.
What is the InChIKey of 4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline?
The InChIKey is WGZFVWBTCFDPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F2N2/c1-7-12(16)3-2-11-13(7)20-15(21-14(11)17)8-4-9(18)6-10(19)5-8/h2-6H,1H3.
What are the key properties of 4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline?
4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline has a molecular weight of 325.15 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline is sourced from PubChem (CID 114589521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).