5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one

C10H10BrClN2O — CID 164912625

IUPAC5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one
SMILESCCN1Cc2c(Br)cc(Cl)cc2NC1=O
InChIInChI=1S/C10H10BrClN2O/c1-2-14-5-7-8(11)3-6(12)4-9(7)13-10(14)15/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyRWSAOUIEUBBIFY-UHFFFAOYSA-N
MW289.56 g/mol
LogP3.47
Rot. Bonds1

About 5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one

5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one (PubChem CID 164912625) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is 5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one
PubChem CID164912625
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC Name5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one
SMILESCCN1Cc2c(Br)cc(Cl)cc2NC1=O
InChIInChI=1S/C10H10BrClN2O/c1-2-14-5-7-8(11)3-6(12)4-9(7)13-10(14)15/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyRWSAOUIEUBBIFY-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one (CID 164912625) is 5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one is CCN1Cc2c(Br)cc(Cl)cc2NC1=O.
What is the InChIKey of 5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one?
The InChIKey is RWSAOUIEUBBIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c1-2-14-5-7-8(11)3-6(12)4-9(7)13-10(14)15/h3-4H,2,5H2,1H3,(H,13,15).
What are the key properties of 5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one?
5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one has a molecular weight of 289.56 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-3-ethyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 164912625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).