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

C9H8BrClN2O — CID 171809835

IUPAC5-bromo-7-chloro-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2c(Br)cc(Cl)cc2NC1=O
InChIInChI=1S/C9H8BrClN2O/c1-13-4-6-7(10)2-5(11)3-8(6)12-9(13)14/h2-3H,4H2,1H3,(H,12,14)
InChIKeyLDXZIQDNELRXFI-UHFFFAOYSA-N
MW275.53 g/mol
LogP3.08
Rot. Bonds

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

5-bromo-7-chloro-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 171809835) has the molecular formula C9H8BrClN2O and a molecular weight of 275.53 g/mol. Its IUPAC name is 5-bromo-7-chloro-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-bromo-7-chloro-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID171809835
Molecular FormulaC9H8BrClN2O
Molecular Weight275.53 g/mol
Exact Mass273.95
IUPAC Name5-bromo-7-chloro-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2c(Br)cc(Cl)cc2NC1=O
InChIInChI=1S/C9H8BrClN2O/c1-13-4-6-7(10)2-5(11)3-8(6)12-9(13)14/h2-3H,4H2,1H3,(H,12,14)
InChIKeyLDXZIQDNELRXFI-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 53.08
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-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 5-bromo-7-chloro-3-methyl-1,4-dihydroquinazolin-2-one (CID 171809835) is 5-bromo-7-chloro-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-bromo-7-chloro-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 5-bromo-7-chloro-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2c(Br)cc(Cl)cc2NC1=O.
What is the InChIKey of 5-bromo-7-chloro-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is LDXZIQDNELRXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O/c1-13-4-6-7(10)2-5(11)3-8(6)12-9(13)14/h2-3H,4H2,1H3,(H,12,14).
What are the key properties of 5-bromo-7-chloro-3-methyl-1,4-dihydroquinazolin-2-one?
5-bromo-7-chloro-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 275.53 g/mol, XLogP of 3.08, 0 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-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 171809835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).