4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine

C19H18BrN3O2 — CID 59213497

IUPAC4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine
SMILESCOc1ccccc1-c1nc(N2CCOCC2)c2cc(Br)ccc2n1
InChIInChI=1S/C19H18BrN3O2/c1-24-17-5-3-2-4-14(17)18-21-16-7-6-13(20)12-15(16)19(22-18)23-8-10-25-11-9-23/h2-7,12H,8-11H2,1H3
InChIKeyMAOLHVULNJUVKE-UHFFFAOYSA-N
MW400.28 g/mol
LogP3.90
Rot. Bonds3

About 4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine

4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine (PubChem CID 59213497) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine
PubChem CID59213497
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine
SMILESCOc1ccccc1-c1nc(N2CCOCC2)c2cc(Br)ccc2n1
InChIInChI=1S/C19H18BrN3O2/c1-24-17-5-3-2-4-14(17)18-21-16-7-6-13(20)12-15(16)19(22-18)23-8-10-25-11-9-23/h2-7,12H,8-11H2,1H3
InChIKeyMAOLHVULNJUVKE-UHFFFAOYSA-N
XLogP3.90
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine?
The IUPAC name of 4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine (CID 59213497) is 4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine is COc1ccccc1-c1nc(N2CCOCC2)c2cc(Br)ccc2n1.
What is the InChIKey of 4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine?
The InChIKey is MAOLHVULNJUVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-24-17-5-3-2-4-14(17)18-21-16-7-6-13(20)12-15(16)19(22-18)23-8-10-25-11-9-23/h2-7,12H,8-11H2,1H3.
What are the key properties of 4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine?
4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine has a molecular weight of 400.28 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]morpholine is sourced from PubChem (CID 59213497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).