4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine

C12H17N3O — CID 3706864

IUPAC4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
SMILESc1nc2c(c(N3CCOCC3)n1)CCCC2
InChIInChI=1S/C12H17N3O/c1-2-4-11-10(3-1)12(14-9-13-11)15-5-7-16-8-6-15/h9H,1-8H2
InChIKeyOXBCRYKDRUYBHN-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.19
Rot. Bonds1

About 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine

4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine (PubChem CID 3706864) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
PubChem CID3706864
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
SMILESc1nc2c(c(N3CCOCC3)n1)CCCC2
InChIInChI=1S/C12H17N3O/c1-2-4-11-10(3-1)12(14-9-13-11)15-5-7-16-8-6-15/h9H,1-8H2
InChIKeyOXBCRYKDRUYBHN-UHFFFAOYSA-N
XLogP1.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine?
The IUPAC name of 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine (CID 3706864) is 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine.
What is the SMILES notation for 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine?
The canonical SMILES for 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine is c1nc2c(c(N3CCOCC3)n1)CCCC2.
What is the InChIKey of 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine?
The InChIKey is OXBCRYKDRUYBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-4-11-10(3-1)12(14-9-13-11)15-5-7-16-8-6-15/h9H,1-8H2.
What are the key properties of 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine?
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine has a molecular weight of 219.29 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine is sourced from PubChem (CID 3706864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).