3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one

C18H23N3O4 — CID 136518869

IUPAC3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CCC(=O)N3CCOCC3CCO)cnc12
InChIInChI=1S/C18H23N3O4/c1-13-3-2-4-15-17(13)19-12-20(18(15)24)7-5-16(23)21-8-10-25-11-14(21)6-9-22/h2-4,12,14,22H,5-11H2,1H3
InChIKeyJBFGBWBZWXPUQD-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.70
Rot. Bonds5

About 3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one

3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one (PubChem CID 136518869) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one
PubChem CID136518869
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CCC(=O)N3CCOCC3CCO)cnc12
InChIInChI=1S/C18H23N3O4/c1-13-3-2-4-15-17(13)19-12-20(18(15)24)7-5-16(23)21-8-10-25-11-14(21)6-9-22/h2-4,12,14,22H,5-11H2,1H3
InChIKeyJBFGBWBZWXPUQD-UHFFFAOYSA-N
XLogP0.70
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one?
The IUPAC name of 3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one (CID 136518869) is 3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one.
What is the SMILES notation for 3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one?
The canonical SMILES for 3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one is Cc1cccc2c(=O)n(CCC(=O)N3CCOCC3CCO)cnc12.
What is the InChIKey of 3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one?
The InChIKey is JBFGBWBZWXPUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-13-3-2-4-15-17(13)19-12-20(18(15)24)7-5-16(23)21-8-10-25-11-14(21)6-9-22/h2-4,12,14,22H,5-11H2,1H3.
What are the key properties of 3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one?
3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one has a molecular weight of 345.40 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one is sourced from PubChem (CID 136518869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).