7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one

C15H19BrN2O — CID 144839438

IUPAC7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one
SMILESCCc1nc(=O)c2ccc(Br)cc2n1CCC(C)C
InChIInChI=1S/C15H19BrN2O/c1-4-14-17-15(19)12-6-5-11(16)9-13(12)18(14)8-7-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyMVCCJJLQJOHATB-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.77
Rot. Bonds4

About 7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one

7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one (PubChem CID 144839438) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one
PubChem CID144839438
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one
SMILESCCc1nc(=O)c2ccc(Br)cc2n1CCC(C)C
InChIInChI=1S/C15H19BrN2O/c1-4-14-17-15(19)12-6-5-11(16)9-13(12)18(14)8-7-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyMVCCJJLQJOHATB-UHFFFAOYSA-N
XLogP3.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one?
The IUPAC name of 7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one (CID 144839438) is 7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one.
What is the SMILES notation for 7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one?
The canonical SMILES for 7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one is CCc1nc(=O)c2ccc(Br)cc2n1CCC(C)C.
What is the InChIKey of 7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one?
The InChIKey is MVCCJJLQJOHATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-4-14-17-15(19)12-6-5-11(16)9-13(12)18(14)8-7-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one?
7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one has a molecular weight of 323.23 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-1-(3-methylbutyl)quinazolin-4-one is sourced from PubChem (CID 144839438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).