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

C16H19N3O3 — CID 2487613

IUPAC2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
SMILESCC(=O)Cn1c(CN2CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C16H19N3O3/c1-12(20)10-19-15(11-18-6-8-22-9-7-18)17-14-5-3-2-4-13(14)16(19)21/h2-5H,6-11H2,1H3
InChIKeyGMMTXJWMBCEGND-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.82
Rot. Bonds4

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

2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one (PubChem CID 2487613) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
PubChem CID2487613
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
SMILESCC(=O)Cn1c(CN2CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C16H19N3O3/c1-12(20)10-19-15(11-18-6-8-22-9-7-18)17-14-5-3-2-4-13(14)16(19)21/h2-5H,6-11H2,1H3
InChIKeyGMMTXJWMBCEGND-UHFFFAOYSA-N
XLogP0.82
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one (CID 2487613) is 2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one is CC(=O)Cn1c(CN2CCOCC2)nc2ccccc2c1=O.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one?
The InChIKey is GMMTXJWMBCEGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12(20)10-19-15(11-18-6-8-22-9-7-18)17-14-5-3-2-4-13(14)16(19)21/h2-5H,6-11H2,1H3.
What are the key properties of 2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one?
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one has a molecular weight of 301.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one is sourced from PubChem (CID 2487613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).