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

C16H12BrClN2O — CID 114591070

IUPAC6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
SMILESCOc1ccc(-c2nc(Cl)c3cc(Br)cc(C)c3n2)cc1
InChIInChI=1S/C16H12BrClN2O/c1-9-7-11(17)8-13-14(9)19-16(20-15(13)18)10-3-5-12(21-2)6-4-10/h3-8H,1-2H3
InChIKeyILVLFBRTNPEFPL-UHFFFAOYSA-N
MW363.64 g/mol
LogP5.03
Rot. Bonds2

About 6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline

6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline (PubChem CID 114591070) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
PubChem CID114591070
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
SMILESCOc1ccc(-c2nc(Cl)c3cc(Br)cc(C)c3n2)cc1
InChIInChI=1S/C16H12BrClN2O/c1-9-7-11(17)8-13-14(9)19-16(20-15(13)18)10-3-5-12(21-2)6-4-10/h3-8H,1-2H3
InChIKeyILVLFBRTNPEFPL-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

7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591533
4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591446
4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline
CID 114590394
6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
CID 63497501
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870561
4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline
CID 114590368
4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline
CID 114590653
6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 63497676
4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
CID 114590874
4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline
CID 114591522
4-[6-bromo-4-chloro-2-(4-chlorophenyl)quinazolin-8-yl]but-3-yn-1-ol
CID 132568913

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline?
The IUPAC name of 6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline (CID 114591070) is 6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline.
What is the SMILES notation for 6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline?
The canonical SMILES for 6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline is COc1ccc(-c2nc(Cl)c3cc(Br)cc(C)c3n2)cc1.
What is the InChIKey of 6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline?
The InChIKey is ILVLFBRTNPEFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c1-9-7-11(17)8-13-14(9)19-16(20-15(13)18)10-3-5-12(21-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline?
6-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 6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline is sourced from PubChem (CID 114591070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).