6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline

C17H22BrN3O — CID 59199269

IUPAC6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline
SMILESCc1ncc2cc(Br)cc(OC3CCN(C(C)C)CC3)c2n1
InChIInChI=1S/C17H22BrN3O/c1-11(2)21-6-4-15(5-7-21)22-16-9-14(18)8-13-10-19-12(3)20-17(13)16/h8-11,15H,4-7H2,1-3H3
InChIKeyMGHBIIQQRSWRCK-UHFFFAOYSA-N
MW364.29 g/mol
LogP3.95
Rot. Bonds3

About 6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline

6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline (PubChem CID 59199269) has the molecular formula C17H22BrN3O and a molecular weight of 364.29 g/mol. Its IUPAC name is 6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline.

Molecular Properties

Compound Name6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline
PubChem CID59199269
Molecular FormulaC17H22BrN3O
Molecular Weight364.29 g/mol
Exact Mass363.09
IUPAC Name6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline
SMILESCc1ncc2cc(Br)cc(OC3CCN(C(C)C)CC3)c2n1
InChIInChI=1S/C17H22BrN3O/c1-11(2)21-6-4-15(5-7-21)22-16-9-14(18)8-13-10-19-12(3)20-17(13)16/h8-11,15H,4-7H2,1-3H3
InChIKeyMGHBIIQQRSWRCK-UHFFFAOYSA-N
XLogP3.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline?
The IUPAC name of 6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline (CID 59199269) is 6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline.
What is the SMILES notation for 6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline?
The canonical SMILES for 6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline is Cc1ncc2cc(Br)cc(OC3CCN(C(C)C)CC3)c2n1.
What is the InChIKey of 6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline?
The InChIKey is MGHBIIQQRSWRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O/c1-11(2)21-6-4-15(5-7-21)22-16-9-14(18)8-13-10-19-12(3)20-17(13)16/h8-11,15H,4-7H2,1-3H3.
What are the key properties of 6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline?
6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline has a molecular weight of 364.29 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline is sourced from PubChem (CID 59199269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).