7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one

C17H13BrCl2N2O — CID 135183619

IUPAC7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one
SMILESCCCc1ccccc1-n1c(=O)nc(Cl)c2cc(Cl)c(Br)cc21
InChIInChI=1S/C17H13BrCl2N2O/c1-2-5-10-6-3-4-7-14(10)22-15-9-12(18)13(19)8-11(15)16(20)21-17(22)23/h3-4,6-9H,2,5H2,1H3
InChIKeyVAUAJYAHGWNLGZ-UHFFFAOYSA-N
MW412.11 g/mol
LogP5.41
Rot. Bonds3

About 7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one

7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one (PubChem CID 135183619) has the molecular formula C17H13BrCl2N2O and a molecular weight of 412.11 g/mol. Its IUPAC name is 7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one
PubChem CID135183619
Molecular FormulaC17H13BrCl2N2O
Molecular Weight412.11 g/mol
Exact Mass409.96
IUPAC Name7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one
SMILESCCCc1ccccc1-n1c(=O)nc(Cl)c2cc(Cl)c(Br)cc21
InChIInChI=1S/C17H13BrCl2N2O/c1-2-5-10-6-3-4-7-14(10)22-15-9-12(18)13(19)8-11(15)16(20)21-17(22)23/h3-4,6-9H,2,5H2,1H3
InChIKeyVAUAJYAHGWNLGZ-UHFFFAOYSA-N
XLogP5.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.11
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one?
The IUPAC name of 7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one (CID 135183619) is 7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one.
What is the SMILES notation for 7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one?
The canonical SMILES for 7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one is CCCc1ccccc1-n1c(=O)nc(Cl)c2cc(Cl)c(Br)cc21.
What is the InChIKey of 7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one?
The InChIKey is VAUAJYAHGWNLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl2N2O/c1-2-5-10-6-3-4-7-14(10)22-15-9-12(18)13(19)8-11(15)16(20)21-17(22)23/h3-4,6-9H,2,5H2,1H3.
What are the key properties of 7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one?
7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one has a molecular weight of 412.11 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one is sourced from PubChem (CID 135183619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).