7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline

C17H16BrClN2 — CID 135337276

IUPAC7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline
SMILESCC1N=Cc2ccc(Br)cc2N1C(C)c1cccc(Cl)c1
InChIInChI=1S/C17H16BrClN2/c1-11(13-4-3-5-16(19)8-13)21-12(2)20-10-14-6-7-15(18)9-17(14)21/h3-12H,1-2H3
InChIKeyWYPCJTAIVXMHJB-UHFFFAOYSA-N
MW363.69 g/mol
LogP5.45
Rot. Bonds2

About 7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline

7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline (PubChem CID 135337276) has the molecular formula C17H16BrClN2 and a molecular weight of 363.69 g/mol. Its IUPAC name is 7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline.

Molecular Properties

Compound Name7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline
PubChem CID135337276
Molecular FormulaC17H16BrClN2
Molecular Weight363.69 g/mol
Exact Mass362.02
IUPAC Name7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline
SMILESCC1N=Cc2ccc(Br)cc2N1C(C)c1cccc(Cl)c1
InChIInChI=1S/C17H16BrClN2/c1-11(13-4-3-5-16(19)8-13)21-12(2)20-10-14-6-7-15(18)9-17(14)21/h3-12H,1-2H3
InChIKeyWYPCJTAIVXMHJB-UHFFFAOYSA-N
XLogP5.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.69
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline?
The IUPAC name of 7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline (CID 135337276) is 7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline.
What is the SMILES notation for 7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline?
The canonical SMILES for 7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline is CC1N=Cc2ccc(Br)cc2N1C(C)c1cccc(Cl)c1.
What is the InChIKey of 7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline?
The InChIKey is WYPCJTAIVXMHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2/c1-11(13-4-3-5-16(19)8-13)21-12(2)20-10-14-6-7-15(18)9-17(14)21/h3-12H,1-2H3.
What are the key properties of 7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline?
7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline has a molecular weight of 363.69 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline is sourced from PubChem (CID 135337276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).