2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one

C12H12BrN3O — CID 67981761

IUPAC2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one
SMILESNc1nc2ccc(Br)cc2c(=O)n1CC1CC1
InChIInChI=1S/C12H12BrN3O/c13-8-3-4-10-9(5-8)11(17)16(12(14)15-10)6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,15)
InChIKeyFCNCZVIBPHHXHE-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.15
Rot. Bonds2

About 2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one

2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one (PubChem CID 67981761) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one
PubChem CID67981761
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one
SMILESNc1nc2ccc(Br)cc2c(=O)n1CC1CC1
InChIInChI=1S/C12H12BrN3O/c13-8-3-4-10-9(5-8)11(17)16(12(14)15-10)6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,15)
InChIKeyFCNCZVIBPHHXHE-UHFFFAOYSA-N
XLogP2.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one?
The IUPAC name of 2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one (CID 67981761) is 2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one.
What is the SMILES notation for 2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one?
The canonical SMILES for 2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one is Nc1nc2ccc(Br)cc2c(=O)n1CC1CC1.
What is the InChIKey of 2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one?
The InChIKey is FCNCZVIBPHHXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-8-3-4-10-9(5-8)11(17)16(12(14)15-10)6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,15).
What are the key properties of 2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one?
2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one has a molecular weight of 294.15 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one is sourced from PubChem (CID 67981761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).