2-chloro-5-fluoro-4,8-dimethylquinazoline

C10H8ClFN2 — CID 130051303

IUPAC2-chloro-5-fluoro-4,8-dimethylquinazoline
SMILESCc1ccc(F)c2c(C)nc(Cl)nc12
InChIInChI=1S/C10H8ClFN2/c1-5-3-4-7(12)8-6(2)13-10(11)14-9(5)8/h3-4H,1-2H3
InChIKeyKSULCTBVJBAJIJ-UHFFFAOYSA-N
MW210.64 g/mol
LogP3.04
Rot. Bonds

About 2-chloro-5-fluoro-4,8-dimethylquinazoline

2-chloro-5-fluoro-4,8-dimethylquinazoline (PubChem CID 130051303) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4,8-dimethylquinazoline.

Molecular Properties

Compound Name2-chloro-5-fluoro-4,8-dimethylquinazoline
PubChem CID130051303
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name2-chloro-5-fluoro-4,8-dimethylquinazoline
SMILESCc1ccc(F)c2c(C)nc(Cl)nc12
InChIInChI=1S/C10H8ClFN2/c1-5-3-4-7(12)8-6(2)13-10(11)14-9(5)8/h3-4H,1-2H3
InChIKeyKSULCTBVJBAJIJ-UHFFFAOYSA-N
XLogP3.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-fluoro-8-methylquinazolin-4-amine
CID 130051304
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline
CID 114589887
2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine
CID 114693468
4-chloro-8-fluoro-2,3,5-trimethylquinoline
CID 60996951
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline
CID 62891436
4-chloro-5-fluoro-3,8-dimethylquinoline
CID 171373227
2-chloro-3-ethyl-5-fluoro-8-methylquinazolin-4-one
CID 114693088
4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline
CID 114589862
4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
CID 106860924
2-chloro-4,5,6,7,8-pentamethylquinazoline
CID 59892833
4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline
CID 59631265
(5-fluoro-2,8-dimethylquinolin-4-yl)hydrazine
CID 62250422

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4,8-dimethylquinazoline?
The IUPAC name of 2-chloro-5-fluoro-4,8-dimethylquinazoline (CID 130051303) is 2-chloro-5-fluoro-4,8-dimethylquinazoline.
What is the SMILES notation for 2-chloro-5-fluoro-4,8-dimethylquinazoline?
The canonical SMILES for 2-chloro-5-fluoro-4,8-dimethylquinazoline is Cc1ccc(F)c2c(C)nc(Cl)nc12.
What is the InChIKey of 2-chloro-5-fluoro-4,8-dimethylquinazoline?
The InChIKey is KSULCTBVJBAJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c1-5-3-4-7(12)8-6(2)13-10(11)14-9(5)8/h3-4H,1-2H3.
What are the key properties of 2-chloro-5-fluoro-4,8-dimethylquinazoline?
2-chloro-5-fluoro-4,8-dimethylquinazoline has a molecular weight of 210.64 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4,8-dimethylquinazoline is sourced from PubChem (CID 130051303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).