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

C10H8BrClN2 — CID 106583859

IUPAC4-bromo-8-chloro-2,5-dimethylquinazoline
SMILESCc1nc(Br)c2c(C)ccc(Cl)c2n1
InChIInChI=1S/C10H8BrClN2/c1-5-3-4-7(12)9-8(5)10(11)14-6(2)13-9/h3-4H,1-2H3
InChIKeyGRDJVAYROCQBKM-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.66
Rot. Bonds

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

4-bromo-8-chloro-2,5-dimethylquinazoline (PubChem CID 106583859) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 4-bromo-8-chloro-2,5-dimethylquinazoline.

Molecular Properties

Compound Name4-bromo-8-chloro-2,5-dimethylquinazoline
PubChem CID106583859
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name4-bromo-8-chloro-2,5-dimethylquinazoline
SMILESCc1nc(Br)c2c(C)ccc(Cl)c2n1
InChIInChI=1S/C10H8BrClN2/c1-5-3-4-7(12)9-8(5)10(11)14-6(2)13-9/h3-4H,1-2H3
InChIKeyGRDJVAYROCQBKM-UHFFFAOYSA-N
XLogP3.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-4-chloro-2,5-dimethylquinazoline
CID 134691884
8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine
CID 107628661
5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 107628750
8-chloro-5-methyl-2-propylquinazolin-4-amine
CID 106583874
8-chloro-2,3,5-trimethyl-N-propylquinolin-4-amine
CID 107628672
4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline
CID 114591688
8-bromo-4-chloro-2-ethyl-5-methylquinoline
CID 82766813
8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline
CID 82766340
8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline
CID 82766655
8-chloro-N,5-dimethyl-2-phenylquinolin-4-amine
CID 107628740
2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine
CID 107628716
8-chloro-5-methyl-3H-quinazolin-4-one
CID 136862978

Frequently Asked Questions

What is the IUPAC name of 4-bromo-8-chloro-2,5-dimethylquinazoline?
The IUPAC name of 4-bromo-8-chloro-2,5-dimethylquinazoline (CID 106583859) is 4-bromo-8-chloro-2,5-dimethylquinazoline.
What is the SMILES notation for 4-bromo-8-chloro-2,5-dimethylquinazoline?
The canonical SMILES for 4-bromo-8-chloro-2,5-dimethylquinazoline is Cc1nc(Br)c2c(C)ccc(Cl)c2n1.
What is the InChIKey of 4-bromo-8-chloro-2,5-dimethylquinazoline?
The InChIKey is GRDJVAYROCQBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c1-5-3-4-7(12)9-8(5)10(11)14-6(2)13-9/h3-4H,1-2H3.
What are the key properties of 4-bromo-8-chloro-2,5-dimethylquinazoline?
4-bromo-8-chloro-2,5-dimethylquinazoline has a molecular weight of 271.55 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-8-chloro-2,5-dimethylquinazoline is sourced from PubChem (CID 106583859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).