7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline

C15H9BrClFN2O — CID 114590509

IUPAC7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline
SMILESCOc1ccc(-c2nc(Cl)c3ccc(Br)cc3n2)cc1F
InChIInChI=1S/C15H9BrClFN2O/c1-21-13-5-2-8(6-11(13)18)15-19-12-7-9(16)3-4-10(12)14(17)20-15/h2-7H,1H3
InChIKeyBBFLKUHPCLHBIC-UHFFFAOYSA-N
MW367.61 g/mol
LogP4.86
Rot. Bonds2

About 7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline

7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline (PubChem CID 114590509) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is 7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline.

Molecular Properties

Compound Name7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline
PubChem CID114590509
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline
SMILESCOc1ccc(-c2nc(Cl)c3ccc(Br)cc3n2)cc1F
InChIInChI=1S/C15H9BrClFN2O/c1-21-13-5-2-8(6-11(13)18)15-19-12-7-9(16)3-4-10(12)14(17)20-15/h2-7H,1H3
InChIKeyBBFLKUHPCLHBIC-UHFFFAOYSA-N
XLogP4.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline
CID 81288093
7-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
CID 114590501
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine
CID 64983945
2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline
CID 53249844
4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590522
4-chloro-2-(3-fluoro-4-methoxyphenyl)-5-iodo-6-methylpyrimidine
CID 66312624
7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline
CID 114590495
7-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590494
7-bromo-2-chloro-4-methoxyquinoline
CID 86036464
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
CID 80550488

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline?
The IUPAC name of 7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline (CID 114590509) is 7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline.
What is the SMILES notation for 7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline?
The canonical SMILES for 7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline is COc1ccc(-c2nc(Cl)c3ccc(Br)cc3n2)cc1F.
What is the InChIKey of 7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline?
The InChIKey is BBFLKUHPCLHBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c1-21-13-5-2-8(6-11(13)18)15-19-12-7-9(16)3-4-10(12)14(17)20-15/h2-7H,1H3.
What are the key properties of 7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline?
7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline has a molecular weight of 367.61 g/mol, XLogP of 4.86, 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-(3-fluoro-4-methoxyphenyl)quinazoline is sourced from PubChem (CID 114590509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).