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

C16H19BrClN3O — CID 59199242

IUPAC6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline
SMILESCC(C)N1CCC(Oc2cc(Br)cc3cnc(Cl)nc23)CC1
InChIInChI=1S/C16H19BrClN3O/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
InChIKeyXFFLSEDWRRLKPF-UHFFFAOYSA-N
MW384.71 g/mol
LogP4.30
Rot. Bonds3

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

6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline (PubChem CID 59199242) has the molecular formula C16H19BrClN3O and a molecular weight of 384.71 g/mol. Its IUPAC name is 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline.

Molecular Properties

Compound Name6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline
PubChem CID59199242
Molecular FormulaC16H19BrClN3O
Molecular Weight384.71 g/mol
Exact Mass383.04
IUPAC Name6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline
SMILESCC(C)N1CCC(Oc2cc(Br)cc3cnc(Cl)nc23)CC1
InChIInChI=1S/C16H19BrClN3O/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
InChIKeyXFFLSEDWRRLKPF-UHFFFAOYSA-N
XLogP4.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.71
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline?
The IUPAC name of 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline (CID 59199242) is 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline.
What is the SMILES notation for 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline?
The canonical SMILES for 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline is CC(C)N1CCC(Oc2cc(Br)cc3cnc(Cl)nc23)CC1.
What is the InChIKey of 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline?
The InChIKey is XFFLSEDWRRLKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClN3O/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 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline?
6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline has a molecular weight of 384.71 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline is sourced from PubChem (CID 59199242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).