4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine

C18H23ClN4O — CID 87015234

IUPAC4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine
SMILESClc1ccc2c(N3CCC(CN4CCOCC4)CC3)ncnc2c1
InChIInChI=1S/C18H23ClN4O/c19-15-1-2-16-17(11-15)20-13-21-18(16)23-5-3-14(4-6-23)12-22-7-9-24-10-8-22/h1-2,11,13-14H,3-10,12H2
InChIKeyNAAYSGFFAWZHCO-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.83
Rot. Bonds3

About 4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine

4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine (PubChem CID 87015234) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine
PubChem CID87015234
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine
SMILESClc1ccc2c(N3CCC(CN4CCOCC4)CC3)ncnc2c1
InChIInChI=1S/C18H23ClN4O/c19-15-1-2-16-17(11-15)20-13-21-18(16)23-5-3-14(4-6-23)12-22-7-9-24-10-8-22/h1-2,11,13-14H,3-10,12H2
InChIKeyNAAYSGFFAWZHCO-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine (CID 87015234) is 4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine is Clc1ccc2c(N3CCC(CN4CCOCC4)CC3)ncnc2c1.
What is the InChIKey of 4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine?
The InChIKey is NAAYSGFFAWZHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c19-15-1-2-16-17(11-15)20-13-21-18(16)23-5-3-14(4-6-23)12-22-7-9-24-10-8-22/h1-2,11,13-14H,3-10,12H2.
What are the key properties of 4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine?
4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine has a molecular weight of 346.86 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 87015234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).