7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline

C16H12BrClN2 — CID 114590545

IUPAC7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline
SMILESCCc1ccccc1-c1nc(Cl)c2ccc(Br)cc2n1
InChIInChI=1S/C16H12BrClN2/c1-2-10-5-3-4-6-12(10)16-19-14-9-11(17)7-8-13(14)15(18)20-16/h3-9H,2H2,1H3
InChIKeyZVLSUPLYZUFDKZ-UHFFFAOYSA-N
MW347.64 g/mol
LogP5.28
Rot. Bonds2

About 7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline

7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline (PubChem CID 114590545) has the molecular formula C16H12BrClN2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline.

Molecular Properties

Compound Name7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline
PubChem CID114590545
Molecular FormulaC16H12BrClN2
Molecular Weight347.64 g/mol
Exact Mass345.99
IUPAC Name7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline
SMILESCCc1ccccc1-c1nc(Cl)c2ccc(Br)cc2n1
InChIInChI=1S/C16H12BrClN2/c1-2-10-5-3-4-6-12(10)16-19-14-9-11(17)7-8-13(14)15(18)20-16/h3-9H,2H2,1H3
InChIKeyZVLSUPLYZUFDKZ-UHFFFAOYSA-N
XLogP5.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.64
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
CID 107096293
7-bromo-4-chloro-2-ethylquinazoline
CID 53404536
4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine
CID 55217796
2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline
CID 114590525
4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
CID 114590401
4,6-dichloro-2-(2-ethylphenyl)pyrimidine
CID 63612271
2-(5-bromo-2-chlorophenyl)-4-chloroquinazoline
CID 43378899
7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline
CID 114021122
4,6-dichloro-2-(2-ethylphenyl)-5-propylpyrimidine
CID 63613349
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-(3-methoxyphenyl)quinazoline
CID 114590534

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline?
The IUPAC name of 7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline (CID 114590545) is 7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline.
What is the SMILES notation for 7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline?
The canonical SMILES for 7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline is CCc1ccccc1-c1nc(Cl)c2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline?
The InChIKey is ZVLSUPLYZUFDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2/c1-2-10-5-3-4-6-12(10)16-19-14-9-11(17)7-8-13(14)15(18)20-16/h3-9H,2H2,1H3.
What are the key properties of 7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline?
7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline has a molecular weight of 347.64 g/mol, XLogP of 5.28, 2 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-(2-ethylphenyl)quinazoline is sourced from PubChem (CID 114590545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).