7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one

C14H21N3O2 — CID 137185703

IUPAC7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one
SMILESCC1(C)CCc2c(nc(N3CCOCC3)[nH]c2=O)C1
InChIInChI=1S/C14H21N3O2/c1-14(2)4-3-10-11(9-14)15-13(16-12(10)18)17-5-7-19-8-6-17/h3-9H2,1-2H3,(H,15,16,18)
InChIKeyKRXZEBUJOQBSCR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.12
Rot. Bonds1

About 7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one

7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one (PubChem CID 137185703) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one
PubChem CID137185703
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one
SMILESCC1(C)CCc2c(nc(N3CCOCC3)[nH]c2=O)C1
InChIInChI=1S/C14H21N3O2/c1-14(2)4-3-10-11(9-14)15-13(16-12(10)18)17-5-7-19-8-6-17/h3-9H2,1-2H3,(H,15,16,18)
InChIKeyKRXZEBUJOQBSCR-UHFFFAOYSA-N
XLogP1.12
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one?
The IUPAC name of 7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one (CID 137185703) is 7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one is CC1(C)CCc2c(nc(N3CCOCC3)[nH]c2=O)C1.
What is the InChIKey of 7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one?
The InChIKey is KRXZEBUJOQBSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2)4-3-10-11(9-14)15-13(16-12(10)18)17-5-7-19-8-6-17/h3-9H2,1-2H3,(H,15,16,18).
What are the key properties of 7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one?
7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one has a molecular weight of 263.34 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-morpholin-4-yl-3,5,6,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 137185703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).