2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline

C14H6BrCl3N2 — CID 114590319

IUPAC2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline
SMILESClc1ccc(Br)cc1-c1nc(Cl)c2c(Cl)cccc2n1
InChIInChI=1S/C14H6BrCl3N2/c15-7-4-5-9(16)8(6-7)14-19-11-3-1-2-10(17)12(11)13(18)20-14/h1-6H
InChIKeyYZWYQCQLQIEFSC-UHFFFAOYSA-N
MW388.48 g/mol
LogP6.02
Rot. Bonds1

About 2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline

2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline (PubChem CID 114590319) has the molecular formula C14H6BrCl3N2 and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline
PubChem CID114590319
Molecular FormulaC14H6BrCl3N2
Molecular Weight388.48 g/mol
Exact Mass385.88
IUPAC Name2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline
SMILESClc1ccc(Br)cc1-c1nc(Cl)c2c(Cl)cccc2n1
InChIInChI=1S/C14H6BrCl3N2/c15-7-4-5-9(16)8(6-7)14-19-11-3-1-2-10(17)12(11)13(18)20-14/h1-6H
InChIKeyYZWYQCQLQIEFSC-UHFFFAOYSA-N
XLogP6.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.48
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-chlorophenyl)-4-chloroquinazoline
CID 43378899
2-(5-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline
CID 63496792
2-(5-bromo-2-chlorophenyl)-4-chloro-8-fluoro-5-methylquinazoline
CID 114589983
7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
CID 107096293
4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 114590337
2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 64981113
4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline
CID 114590291
4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline
CID 107960337
6-bromo-2-(2-chlorophenyl)quinazolin-4-amine
CID 64983536
2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine
CID 64981078
2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline
CID 114591476
4-chloro-5-methyl-2-(2-methylphenyl)quinazoline
CID 63086200

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline (CID 114590319) is 2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline is Clc1ccc(Br)cc1-c1nc(Cl)c2c(Cl)cccc2n1.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline?
The InChIKey is YZWYQCQLQIEFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrCl3N2/c15-7-4-5-9(16)8(6-7)14-19-11-3-1-2-10(17)12(11)13(18)20-14/h1-6H.
What are the key properties of 2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline?
2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline has a molecular weight of 388.48 g/mol, XLogP of 6.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline is sourced from PubChem (CID 114590319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).