2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride

C15H21Cl3N4O3 — CID 3053768

IUPAC2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride
SMILESCl.Cl.Cl.O=C(CN1CCOCC1)NCn1cnc2ccccc2c1=O
InChIInChI=1S/C15H18N4O3.3ClH/c20-14(9-18-5-7-22-8-6-18)17-11-19-10-16-13-4-2-1-3-12(13)15(19)21;;;/h1-4,10H,5-9,11H2,(H,17,20);3*1H
InChIKeyITDJRUOWKGETEQ-UHFFFAOYSA-N
MW411.72 g/mol
LogP1.07
Rot. Bonds4

About 2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride

2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride (PubChem CID 3053768) has the molecular formula C15H21Cl3N4O3 and a molecular weight of 411.72 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride
PubChem CID3053768
Molecular FormulaC15H21Cl3N4O3
Molecular Weight411.72 g/mol
Exact Mass410.07
IUPAC Name2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride
SMILESCl.Cl.Cl.O=C(CN1CCOCC1)NCn1cnc2ccccc2c1=O
InChIInChI=1S/C15H18N4O3.3ClH/c20-14(9-18-5-7-22-8-6-18)17-11-19-10-16-13-4-2-1-3-12(13)15(19)21;;;/h1-4,10H,5-9,11H2,(H,17,20);3*1H
InChIKeyITDJRUOWKGETEQ-UHFFFAOYSA-N
XLogP1.07
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.72
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride?
The IUPAC name of 2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride (CID 3053768) is 2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride?
The canonical SMILES for 2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride is Cl.Cl.Cl.O=C(CN1CCOCC1)NCn1cnc2ccccc2c1=O.
What is the InChIKey of 2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride?
The InChIKey is ITDJRUOWKGETEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3.3ClH/c20-14(9-18-5-7-22-8-6-18)17-11-19-10-16-13-4-2-1-3-12(13)15(19)21;;;/h1-4,10H,5-9,11H2,(H,17,20);3*1H.
What are the key properties of 2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride?
2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride has a molecular weight of 411.72 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(4-oxoquinazolin-3-yl)methyl]acetamide;trihydrochloride is sourced from PubChem (CID 3053768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).