2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C12H17N3O2 — CID 135400109

IUPAC2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCOCC2)nc2c1CCCC2
InChIInChI=1S/C12H17N3O2/c16-11-9-3-1-2-4-10(9)13-12(14-11)15-5-7-17-8-6-15/h1-8H2,(H,13,14,16)
InChIKeyCLIVREAVSUMDBB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.49
Rot. Bonds1

About 2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135400109) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135400109
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCOCC2)nc2c1CCCC2
InChIInChI=1S/C12H17N3O2/c16-11-9-3-1-2-4-10(9)13-12(14-11)15-5-7-17-8-6-15/h1-8H2,(H,13,14,16)
InChIKeyCLIVREAVSUMDBB-UHFFFAOYSA-N
XLogP0.49
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135400109) is 2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(N2CCOCC2)nc2c1CCCC2.
What is the InChIKey of 2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is CLIVREAVSUMDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11-9-3-1-2-4-10(9)13-12(14-11)15-5-7-17-8-6-15/h1-8H2,(H,13,14,16).
What are the key properties of 2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 235.29 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135400109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).