5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline

C17H14BrClN2 — CID 114591241

IUPAC5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline
SMILESCCc1ccccc1-c1nc(Cl)c2c(Br)ccc(C)c2n1
InChIInChI=1S/C17H14BrClN2/c1-3-11-6-4-5-7-12(11)17-20-15-10(2)8-9-13(18)14(15)16(19)21-17/h4-9H,3H2,1-2H3
InChIKeyWAHLOZFQDBXLDK-UHFFFAOYSA-N
MW361.67 g/mol
LogP5.58
Rot. Bonds2

About 5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline

5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline (PubChem CID 114591241) has the molecular formula C17H14BrClN2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline
PubChem CID114591241
Molecular FormulaC17H14BrClN2
Molecular Weight361.67 g/mol
Exact Mass360.00
IUPAC Name5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline
SMILESCCc1ccccc1-c1nc(Cl)c2c(Br)ccc(C)c2n1
InChIInChI=1S/C17H14BrClN2/c1-3-11-6-4-5-7-12(11)17-20-15-10(2)8-9-13(18)14(15)16(19)21-17/h4-9H,3H2,1-2H3
InChIKeyWAHLOZFQDBXLDK-UHFFFAOYSA-N
XLogP5.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.67
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline
CID 114591231
4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine
CID 55217796
4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
CID 114590401
4,6-dichloro-2-(2-ethylphenyl)-5-propylpyrimidine
CID 63613349
4,6-dichloro-2-(2-ethylphenyl)pyrimidine
CID 63612271
7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline
CID 114590545
2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine
CID 63549132
5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole
CID 84675722
5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline
CID 114591139
5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine
CID 66314007
6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
CID 63497501
8-bromo-4-chloro-2,5-dimethylquinazoline
CID 134691884

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline?
The IUPAC name of 5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline (CID 114591241) is 5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline.
What is the SMILES notation for 5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline?
The canonical SMILES for 5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline is CCc1ccccc1-c1nc(Cl)c2c(Br)ccc(C)c2n1.
What is the InChIKey of 5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline?
The InChIKey is WAHLOZFQDBXLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2/c1-3-11-6-4-5-7-12(11)17-20-15-10(2)8-9-13(18)14(15)16(19)21-17/h4-9H,3H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline?
5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline has a molecular weight of 361.67 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline is sourced from PubChem (CID 114591241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).