7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline

C15H9BrCl2N2 — CID 107096293

IUPAC7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
SMILESCc1c(Cl)cccc1-c1nc(Cl)c2ccc(Br)cc2n1
InChIInChI=1S/C15H9BrCl2N2/c1-8-10(3-2-4-12(8)17)15-19-13-7-9(16)5-6-11(13)14(18)20-15/h2-7H,1H3
InChIKeyLLBMLCJZQSEFGE-UHFFFAOYSA-N
MW368.06 g/mol
LogP5.67
Rot. Bonds1

About 7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline

7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline (PubChem CID 107096293) has the molecular formula C15H9BrCl2N2 and a molecular weight of 368.06 g/mol. Its IUPAC name is 7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline.

Molecular Properties

Compound Name7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
PubChem CID107096293
Molecular FormulaC15H9BrCl2N2
Molecular Weight368.06 g/mol
Exact Mass365.93
IUPAC Name7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
SMILESCc1c(Cl)cccc1-c1nc(Cl)c2ccc(Br)cc2n1
InChIInChI=1S/C15H9BrCl2N2/c1-8-10(3-2-4-12(8)17)15-19-13-7-9(16)5-6-11(13)14(18)20-15/h2-7H,1H3
InChIKeyLLBMLCJZQSEFGE-UHFFFAOYSA-N
XLogP5.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.06
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine
CID 107100397
7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline
CID 114590545
2-(5-bromo-2-chlorophenyl)-4-chloroquinazoline
CID 43378899
7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline
CID 114021122
2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline
CID 114590525
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline
CID 114590549
2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline
CID 114590319
7-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
CID 114590501
4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590522
7-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590494
4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline
CID 63496973

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline?
The IUPAC name of 7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline (CID 107096293) is 7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline.
What is the SMILES notation for 7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline?
The canonical SMILES for 7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline is Cc1c(Cl)cccc1-c1nc(Cl)c2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline?
The InChIKey is LLBMLCJZQSEFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2/c1-8-10(3-2-4-12(8)17)15-19-13-7-9(16)5-6-11(13)14(18)20-15/h2-7H,1H3.
What are the key properties of 7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline?
7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline has a molecular weight of 368.06 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline is sourced from PubChem (CID 107096293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).