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

C23H27N5O — CID 72706604

IUPAC4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine
SMILESc1cc(CCc2nc(N3CCOCC3)c3ccccc3n2)nc(N2CCCC2)c1
InChIInChI=1S/C23H27N5O/c1-2-8-20-19(7-1)23(28-14-16-29-17-15-28)26-21(25-20)11-10-18-6-5-9-22(24-18)27-12-3-4-13-27/h1-2,5-9H,3-4,10-17H2
InChIKeyHLGLTCHAYMZXIG-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.25
Rot. Bonds5

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

4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine (PubChem CID 72706604) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine
PubChem CID72706604
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine
SMILESc1cc(CCc2nc(N3CCOCC3)c3ccccc3n2)nc(N2CCCC2)c1
InChIInChI=1S/C23H27N5O/c1-2-8-20-19(7-1)23(28-14-16-29-17-15-28)26-21(25-20)11-10-18-6-5-9-22(24-18)27-12-3-4-13-27/h1-2,5-9H,3-4,10-17H2
InChIKeyHLGLTCHAYMZXIG-UHFFFAOYSA-N
XLogP3.25
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine (CID 72706604) is 4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine is c1cc(CCc2nc(N3CCOCC3)c3ccccc3n2)nc(N2CCCC2)c1.
What is the InChIKey of 4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine?
The InChIKey is HLGLTCHAYMZXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-2-8-20-19(7-1)23(28-14-16-29-17-15-28)26-21(25-20)11-10-18-6-5-9-22(24-18)27-12-3-4-13-27/h1-2,5-9H,3-4,10-17H2.
What are the key properties of 4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine?
4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine has a molecular weight of 389.50 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinazolin-4-yl]morpholine is sourced from PubChem (CID 72706604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).