2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one

C13H15N3O2 — CID 135399149

IUPAC2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C13H15N3O2/c17-13-10-3-1-2-4-11(10)14-12(15-13)9-16-5-7-18-8-6-16/h1-4H,5-9H2,(H,14,15,17)
InChIKeyRXDXFLNNVDAKDC-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.76
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one

2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one (PubChem CID 135399149) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one
PubChem CID135399149
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C13H15N3O2/c17-13-10-3-1-2-4-11(10)14-12(15-13)9-16-5-7-18-8-6-16/h1-4H,5-9H2,(H,14,15,17)
InChIKeyRXDXFLNNVDAKDC-UHFFFAOYSA-N
XLogP0.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one (CID 135399149) is 2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one is O=c1[nH]c(CN2CCOCC2)nc2ccccc12.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one?
The InChIKey is RXDXFLNNVDAKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13-10-3-1-2-4-11(10)14-12(15-13)9-16-5-7-18-8-6-16/h1-4H,5-9H2,(H,14,15,17).
What are the key properties of 2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one?
2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one has a molecular weight of 245.28 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135399149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).