4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid

C16H17N3O5 — CID 119239315

IUPAC4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CCn2cnc3ccccc3c2=O)CCO1
InChIInChI=1S/C16H17N3O5/c20-14(18-7-8-24-13(9-18)16(22)23)5-6-19-10-17-12-4-2-1-3-11(12)15(19)21/h1-4,10,13H,5-9H2,(H,22,23)
InChIKeyRQOYIUVCECQYHC-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.10
Rot. Bonds4

About 4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid

4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid (PubChem CID 119239315) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
PubChem CID119239315
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CCn2cnc3ccccc3c2=O)CCO1
InChIInChI=1S/C16H17N3O5/c20-14(18-7-8-24-13(9-18)16(22)23)5-6-19-10-17-12-4-2-1-3-11(12)15(19)21/h1-4,10,13H,5-9H2,(H,22,23)
InChIKeyRQOYIUVCECQYHC-UHFFFAOYSA-N
XLogP0.10
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248183
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-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
3-[3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 120748021
3-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119397174
6,7-dimethoxy-3-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]quinazolin-4-one
CID 45494783
6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one
CID 51720774
3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 91777595

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid (CID 119239315) is 4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)CCn2cnc3ccccc3c2=O)CCO1.
What is the InChIKey of 4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is RQOYIUVCECQYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c20-14(18-7-8-24-13(9-18)16(22)23)5-6-19-10-17-12-4-2-1-3-11(12)15(19)21/h1-4,10,13H,5-9H2,(H,22,23).
What are the key properties of 4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid?
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).