4,5-difluoro-2-methylquinazoline

C9H6F2N2 — CID 141141506

IUPAC4,5-difluoro-2-methylquinazoline
SMILESCc1nc(F)c2c(F)cccc2n1
InChIInChI=1S/C9H6F2N2/c1-5-12-7-4-2-3-6(10)8(7)9(11)13-5/h2-4H,1H3
InChIKeyRGGADGOENWQTKD-UHFFFAOYSA-N
MW180.16 g/mol
LogP2.22
Rot. Bonds

About 4,5-difluoro-2-methylquinazoline

4,5-difluoro-2-methylquinazoline (PubChem CID 141141506) has the molecular formula C9H6F2N2 and a molecular weight of 180.16 g/mol. Its IUPAC name is 4,5-difluoro-2-methylquinazoline.

Molecular Properties

Compound Name4,5-difluoro-2-methylquinazoline
PubChem CID141141506
Molecular FormulaC9H6F2N2
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name4,5-difluoro-2-methylquinazoline
SMILESCc1nc(F)c2c(F)cccc2n1
InChIInChI=1S/C9H6F2N2/c1-5-12-7-4-2-3-6(10)8(7)9(11)13-5/h2-4H,1H3
InChIKeyRGGADGOENWQTKD-UHFFFAOYSA-N
XLogP2.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trifluoro-2-methylquinoline
CID 54570448
5-fluoro-2-methyl-3H-quinazolin-4-one
CID 135438096
2-chloro-5-fluoroquinazolin-4-amine
CID 34181642
(5-fluoro-4-methylquinazolin-2-yl)methanol
CID 177177290
5-iodo-2-methylquinazolin-4-amine
CID 133060657
(4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol
CID 58125399
4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline
CID 114590256
5-bromo-2-methylquinazolin-4-amine
CID 133060351
2,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)sulfanylquinazoline
CID 20806312
2-bromo-5-fluoro-3-methylquinazolin-4-one
CID 175890826
4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline
CID 114590235
4-chloro-5-fluoro-2-(2-fluoro-4-methylphenyl)quinazoline
CID 114590211

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-methylquinazoline?
The IUPAC name of 4,5-difluoro-2-methylquinazoline (CID 141141506) is 4,5-difluoro-2-methylquinazoline.
What is the SMILES notation for 4,5-difluoro-2-methylquinazoline?
The canonical SMILES for 4,5-difluoro-2-methylquinazoline is Cc1nc(F)c2c(F)cccc2n1.
What is the InChIKey of 4,5-difluoro-2-methylquinazoline?
The InChIKey is RGGADGOENWQTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2/c1-5-12-7-4-2-3-6(10)8(7)9(11)13-5/h2-4H,1H3.
What are the key properties of 4,5-difluoro-2-methylquinazoline?
4,5-difluoro-2-methylquinazoline has a molecular weight of 180.16 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-methylquinazoline is sourced from PubChem (CID 141141506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).