2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline

C16H19Br2N3O — CID 59199274

IUPAC2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline
SMILESCC(C)N1CCC(Oc2cc(Br)cc3cnc(Br)nc23)CC1
InChIInChI=1S/C16H19Br2N3O/c1-10(2)21-5-3-13(4-6-21)22-14-8-12(17)7-11-9-19-16(18)20-15(11)14/h7-10,13H,3-6H2,1-2H3
InChIKeyBLDKPFCMSSPHJO-UHFFFAOYSA-N
MW429.16 g/mol
LogP4.41
Rot. Bonds3

About 2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline

2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline (PubChem CID 59199274) has the molecular formula C16H19Br2N3O and a molecular weight of 429.16 g/mol. Its IUPAC name is 2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline.

Molecular Properties

Compound Name2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline
PubChem CID59199274
Molecular FormulaC16H19Br2N3O
Molecular Weight429.16 g/mol
Exact Mass426.99
IUPAC Name2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline
SMILESCC(C)N1CCC(Oc2cc(Br)cc3cnc(Br)nc23)CC1
InChIInChI=1S/C16H19Br2N3O/c1-10(2)21-5-3-13(4-6-21)22-14-8-12(17)7-11-9-19-16(18)20-15(11)14/h7-10,13H,3-6H2,1-2H3
InChIKeyBLDKPFCMSSPHJO-UHFFFAOYSA-N
XLogP4.41
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.16
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline?
The IUPAC name of 2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline (CID 59199274) is 2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline.
What is the SMILES notation for 2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline?
The canonical SMILES for 2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline is CC(C)N1CCC(Oc2cc(Br)cc3cnc(Br)nc23)CC1.
What is the InChIKey of 2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline?
The InChIKey is BLDKPFCMSSPHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2N3O/c1-10(2)21-5-3-13(4-6-21)22-14-8-12(17)7-11-9-19-16(18)20-15(11)14/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline?
2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline has a molecular weight of 429.16 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline is sourced from PubChem (CID 59199274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).