2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid

C17H19N3O5 — CID 119248183

IUPAC2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCn2cnc3ccccc3c2=O)CCO1
InChIInChI=1S/C17H19N3O5/c21-15(19-7-8-25-12(10-19)9-16(22)23)5-6-20-11-18-14-4-2-1-3-13(14)17(20)24/h1-4,11-12H,5-10H2,(H,22,23)
InChIKeyYQRMTQLVGYSBMQ-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.49
Rot. Bonds5

About 2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid

2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 119248183) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID119248183
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCn2cnc3ccccc3c2=O)CCO1
InChIInChI=1S/C17H19N3O5/c21-15(19-7-8-25-12(10-19)9-16(22)23)5-6-20-11-18-14-4-2-1-3-13(14)17(20)24/h1-4,11-12H,5-10H2,(H,22,23)
InChIKeyYQRMTQLVGYSBMQ-UHFFFAOYSA-N
XLogP0.49
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119578876
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-[3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 120748021
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
3-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119397174
6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one
CID 51720774
6,7-dimethoxy-3-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]quinazolin-4-one
CID 45494783
3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 91777595

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid (CID 119248183) is 2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)CCn2cnc3ccccc3c2=O)CCO1.
What is the InChIKey of 2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is YQRMTQLVGYSBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c21-15(19-7-8-25-12(10-19)9-16(22)23)5-6-20-11-18-14-4-2-1-3-13(14)17(20)24/h1-4,11-12H,5-10H2,(H,22,23).
What are the key properties of 2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 345.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).