4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine

C24H28N4O2 — CID 53467559

IUPAC4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCOc1cccc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1
InChIInChI=1S/C24H28N4O2/c1-29-21-6-2-4-18(14-21)19-5-3-9-28(16-19)24-22-8-7-20(15-23(22)25-17-26-24)27-10-12-30-13-11-27/h2,4,6-8,14-15,17,19H,3,5,9-13,16H2,1H3
InChIKeySXDLOMLBRQHGIA-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.86
Rot. Bonds4

About 4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine

4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 53467559) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID53467559
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCOc1cccc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1
InChIInChI=1S/C24H28N4O2/c1-29-21-6-2-4-18(14-21)19-5-3-9-28(16-19)24-22-8-7-20(15-23(22)25-17-26-24)27-10-12-30-13-11-27/h2,4,6-8,14-15,17,19H,3,5,9-13,16H2,1H3
InChIKeySXDLOMLBRQHGIA-UHFFFAOYSA-N
XLogP3.86
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine (CID 53467559) is 4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine is COc1cccc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1.
What is the InChIKey of 4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is SXDLOMLBRQHGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-29-21-6-2-4-18(14-21)19-5-3-9-28(16-19)24-22-8-7-20(15-23(22)25-17-26-24)27-10-12-30-13-11-27/h2,4,6-8,14-15,17,19H,3,5,9-13,16H2,1H3.
What are the key properties of 4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 404.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 53467559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).