6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol

C49H62Br4ClN9O4 — CID 157072900

IUPAC6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)CC1.CC(C)N1CCC(Oc2cc(Br)cc3cnc(Br)nc23)CC1.CC(C)N1CCC(Oc2cc(Br)cc3cnc(Cl)nc23)CC1.Cc1ncc2cc(Br)cc(O)c2n1
InChIInChI=1S/C16H19Br2N3O.C16H19BrClN3O.C9H7BrN2O.C8H17NO/c2*1-10(2)21-5-3-13(4-6-21)22-14-8-12(17)7-11-9-19-16(18)20-15(11)14;1-5-11-4-6-2-7(10)3-8(13)9(6)12-5;1-7(2)9-5-3-8(10)4-6-9/h2*7-10,13H,3-6H2,1-2H3;2-4,13H,1H3;7-8,10H,3-6H2,1-2H3
InChIKeyACQHMLDAZBTQET-UHFFFAOYSA-N
MW1196.16 g/mol
LogP11.96
Rot. Bonds7

About 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol

6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol (PubChem CID 157072900) has the molecular formula C49H62Br4ClN9O4 and a molecular weight of 1196.16 g/mol. Its IUPAC name is 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol
PubChem CID157072900
Molecular FormulaC49H62Br4ClN9O4
Molecular Weight1196.16 g/mol
Exact Mass1191.13
IUPAC Name6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)CC1.CC(C)N1CCC(Oc2cc(Br)cc3cnc(Br)nc23)CC1.CC(C)N1CCC(Oc2cc(Br)cc3cnc(Cl)nc23)CC1.Cc1ncc2cc(Br)cc(O)c2n1
InChIInChI=1S/C16H19Br2N3O.C16H19BrClN3O.C9H7BrN2O.C8H17NO/c2*1-10(2)21-5-3-13(4-6-21)22-14-8-12(17)7-11-9-19-16(18)20-15(11)14;1-5-11-4-6-2-7(10)3-8(13)9(6)12-5;1-7(2)9-5-3-8(10)4-6-9/h2*7-10,13H,3-6H2,1-2H3;2-4,13H,1H3;7-8,10H,3-6H2,1-2H3
InChIKeyACQHMLDAZBTQET-UHFFFAOYSA-N
XLogP11.96
TPSA145.98 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001196.16
LogP ≤ 511.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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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;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol (CID 157072900) is 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(O)CC1.CC(C)N1CCC(Oc2cc(Br)cc3cnc(Br)nc23)CC1.CC(C)N1CCC(Oc2cc(Br)cc3cnc(Cl)nc23)CC1.Cc1ncc2cc(Br)cc(O)c2n1.
What is the InChIKey of 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol?
The InChIKey is ACQHMLDAZBTQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2N3O.C16H19BrClN3O.C9H7BrN2O.C8H17NO/c2*1-10(2)21-5-3-13(4-6-21)22-14-8-12(17)7-11-9-19-16(18)20-15(11)14;1-5-11-4-6-2-7(10)3-8(13)9(6)12-5;1-7(2)9-5-3-8(10)4-6-9/h2*7-10,13H,3-6H2,1-2H3;2-4,13H,1H3;7-8,10H,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-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol?
6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol has a molecular weight of 1196.16 g/mol, XLogP of 11.96, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;6-bromo-2-methylquinazolin-8-ol;2,6-dibromo-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline;1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 157072900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).