6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one

C17H23BrN2O — CID 82010047

IUPAC6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(Br)CCC3CCCC3)ccc2NC1=O
InChIInChI=1S/C17H23BrN2O/c1-20-11-14-10-13(7-9-16(14)19-17(20)21)15(18)8-6-12-4-2-3-5-12/h7,9-10,12,15H,2-6,8,11H2,1H3,(H,19,21)
InChIKeyZTTPMEPQAFLFIM-UHFFFAOYSA-N
MW351.29 g/mol
LogP5.07
Rot. Bonds4

About 6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one

6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82010047) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82010047
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(Br)CCC3CCCC3)ccc2NC1=O
InChIInChI=1S/C17H23BrN2O/c1-20-11-14-10-13(7-9-16(14)19-17(20)21)15(18)8-6-12-4-2-3-5-12/h7,9-10,12,15H,2-6,8,11H2,1H3,(H,19,21)
InChIKeyZTTPMEPQAFLFIM-UHFFFAOYSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.29
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one (CID 82010047) is 6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(Br)CCC3CCCC3)ccc2NC1=O.
What is the InChIKey of 6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is ZTTPMEPQAFLFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-20-11-14-10-13(7-9-16(14)19-17(20)21)15(18)8-6-12-4-2-3-5-12/h7,9-10,12,15H,2-6,8,11H2,1H3,(H,19,21).
What are the key properties of 6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one?
6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 351.29 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82010047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).