4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine

C22H25N5O2 — CID 72706534

IUPAC4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine
SMILESc1cc(COc2nc(N3CCOCC3)c3ccccc3n2)nc(N2CCCC2)c1
InChIInChI=1S/C22H25N5O2/c1-2-8-19-18(7-1)21(27-12-14-28-15-13-27)25-22(24-19)29-16-17-6-5-9-20(23-17)26-10-3-4-11-26/h1-2,5-9H,3-4,10-16H2
InChIKeyMYJWKEABNQTIOY-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.04
Rot. Bonds5

About 4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine

4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine (PubChem CID 72706534) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine
PubChem CID72706534
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine
SMILESc1cc(COc2nc(N3CCOCC3)c3ccccc3n2)nc(N2CCCC2)c1
InChIInChI=1S/C22H25N5O2/c1-2-8-19-18(7-1)21(27-12-14-28-15-13-27)25-22(24-19)29-16-17-6-5-9-20(23-17)26-10-3-4-11-26/h1-2,5-9H,3-4,10-16H2
InChIKeyMYJWKEABNQTIOY-UHFFFAOYSA-N
XLogP3.04
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine (CID 72706534) is 4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine is c1cc(COc2nc(N3CCOCC3)c3ccccc3n2)nc(N2CCCC2)c1.
What is the InChIKey of 4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine?
The InChIKey is MYJWKEABNQTIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-8-19-18(7-1)21(27-12-14-28-15-13-27)25-22(24-19)29-16-17-6-5-9-20(23-17)26-10-3-4-11-26/h1-2,5-9H,3-4,10-16H2.
What are the key properties of 4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine?
4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine has a molecular weight of 391.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-yl]morpholine is sourced from PubChem (CID 72706534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).