7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one

C17H14BrClN2O — CID 161031638

IUPAC7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)ncc2cc(Cl)c(Br)cc21
InChIInChI=1S/C17H14BrClN2O/c1-10(2)12-5-3-4-6-15(12)21-16-8-13(18)14(19)7-11(16)9-20-17(21)22/h3-10H,1-2H3
InChIKeyTZRUSLVAPGAAIH-UHFFFAOYSA-N
MW377.67 g/mol
LogP4.93
Rot. Bonds2

About 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one

7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 161031638) has the molecular formula C17H14BrClN2O and a molecular weight of 377.67 g/mol. Its IUPAC name is 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
PubChem CID161031638
Molecular FormulaC17H14BrClN2O
Molecular Weight377.67 g/mol
Exact Mass376.00
IUPAC Name7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)ncc2cc(Cl)c(Br)cc21
InChIInChI=1S/C17H14BrClN2O/c1-10(2)12-5-3-4-6-15(12)21-16-8-13(18)14(19)7-11(16)9-20-17(21)22/h3-10H,1-2H3
InChIKeyTZRUSLVAPGAAIH-UHFFFAOYSA-N
XLogP4.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.67
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one (CID 161031638) is 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one is CC(C)c1ccccc1-n1c(=O)ncc2cc(Cl)c(Br)cc21.
What is the InChIKey of 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is TZRUSLVAPGAAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O/c1-10(2)12-5-3-4-6-15(12)21-16-8-13(18)14(19)7-11(16)9-20-17(21)22/h3-10H,1-2H3.
What are the key properties of 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one?
7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 377.67 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 161031638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).