7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline

C16H12BrClN2O — CID 114591533

IUPAC7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
SMILESCOc1ccc(-c2nc(Cl)c3ccc(Br)c(C)c3n2)cc1
InChIInChI=1S/C16H12BrClN2O/c1-9-13(17)8-7-12-14(9)19-16(20-15(12)18)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3
InChIKeyLWFWSJSNMAMSHH-UHFFFAOYSA-N
MW363.64 g/mol
LogP5.03
Rot. Bonds2

About 7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline

7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline (PubChem CID 114591533) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline.

Molecular Properties

Compound Name7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
PubChem CID114591533
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
SMILESCOc1ccc(-c2nc(Cl)c3ccc(Br)c(C)c3n2)cc1
InChIInChI=1S/C16H12BrClN2O/c1-9-13(17)8-7-12-14(9)19-16(20-15(12)18)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3
InChIKeyLWFWSJSNMAMSHH-UHFFFAOYSA-N
XLogP5.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.64
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591446
6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591070
7-bromo-4-chloro-2-(2,4-dichlorophenyl)-8-methylquinazoline
CID 114591566
7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline
CID 114591569
4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline
CID 114589554
4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline
CID 114589548
7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
CID 114591559
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
CID 63613484
4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline
CID 114590653
4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline
CID 114589521
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline?
The IUPAC name of 7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline (CID 114591533) is 7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline.
What is the SMILES notation for 7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline?
The canonical SMILES for 7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline is COc1ccc(-c2nc(Cl)c3ccc(Br)c(C)c3n2)cc1.
What is the InChIKey of 7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline?
The InChIKey is LWFWSJSNMAMSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c1-9-13(17)8-7-12-14(9)19-16(20-15(12)18)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline?
7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline has a molecular weight of 363.64 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline is sourced from PubChem (CID 114591533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).