6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one

C15H20BrN3O — CID 62563597

IUPAC6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one
SMILESCCC(C)(C)NCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C15H20BrN3O/c1-4-15(2,3)18-7-8-19-10-17-13-6-5-11(16)9-12(13)14(19)20/h5-6,9-10,18H,4,7-8H2,1-3H3
InChIKeyINFJSXMTBNVDCT-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.94
Rot. Bonds5

About 6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one

6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one (PubChem CID 62563597) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one
PubChem CID62563597
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one
SMILESCCC(C)(C)NCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C15H20BrN3O/c1-4-15(2,3)18-7-8-19-10-17-13-6-5-11(16)9-12(13)14(19)20/h5-6,9-10,18H,4,7-8H2,1-3H3
InChIKeyINFJSXMTBNVDCT-UHFFFAOYSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one (CID 62563597) is 6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one is CCC(C)(C)NCCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one?
The InChIKey is INFJSXMTBNVDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-15(2,3)18-7-8-19-10-17-13-6-5-11(16)9-12(13)14(19)20/h5-6,9-10,18H,4,7-8H2,1-3H3.
What are the key properties of 6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one?
6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one has a molecular weight of 338.25 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 62563597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).