8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one

C16H22N4O2 — CID 170754048

IUPAC8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
SMILESCc1cc(C(C)N)c2nc(N3CCOCC3)n(C)c(=O)c2c1
InChIInChI=1S/C16H22N4O2/c1-10-8-12(11(2)17)14-13(9-10)15(21)19(3)16(18-14)20-4-6-22-7-5-20/h8-9,11H,4-7,17H2,1-3H3
InChIKeyMMOVTBVHCLVYLY-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.10
Rot. Bonds2

About 8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one

8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one (PubChem CID 170754048) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
PubChem CID170754048
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
SMILESCc1cc(C(C)N)c2nc(N3CCOCC3)n(C)c(=O)c2c1
InChIInChI=1S/C16H22N4O2/c1-10-8-12(11(2)17)14-13(9-10)15(21)19(3)16(18-14)20-4-6-22-7-5-20/h8-9,11H,4-7,17H2,1-3H3
InChIKeyMMOVTBVHCLVYLY-UHFFFAOYSA-N
XLogP1.10
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The IUPAC name of 8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one (CID 170754048) is 8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one.
What is the SMILES notation for 8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The canonical SMILES for 8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one is Cc1cc(C(C)N)c2nc(N3CCOCC3)n(C)c(=O)c2c1.
What is the InChIKey of 8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The InChIKey is MMOVTBVHCLVYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-8-12(11(2)17)14-13(9-10)15(21)19(3)16(18-14)20-4-6-22-7-5-20/h8-9,11H,4-7,17H2,1-3H3.
What are the key properties of 8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one has a molecular weight of 302.38 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one is sourced from PubChem (CID 170754048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).