2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid

C14H14N4O3 — CID 114788579

IUPAC2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid
SMILESO=C(O)CC1C(=O)NCCN1c1ncc2ccccc2n1
InChIInChI=1S/C14H14N4O3/c19-12(20)7-11-13(21)15-5-6-18(11)14-16-8-9-3-1-2-4-10(9)17-14/h1-4,8,11H,5-7H2,(H,15,21)(H,19,20)
InChIKeyTWCJMMQPABNQTH-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.41
Rot. Bonds3

About 2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid

2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid (PubChem CID 114788579) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid
PubChem CID114788579
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid
SMILESO=C(O)CC1C(=O)NCCN1c1ncc2ccccc2n1
InChIInChI=1S/C14H14N4O3/c19-12(20)7-11-13(21)15-5-6-18(11)14-16-8-9-3-1-2-4-10(9)17-14/h1-4,8,11H,5-7H2,(H,15,21)(H,19,20)
InChIKeyTWCJMMQPABNQTH-UHFFFAOYSA-N
XLogP0.41
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid
CID 104605926
2-[1-(2-fluorophenyl)-3-oxopiperazin-2-yl]acetic acid
CID 82019151
2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid
CID 65418820
2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid
CID 64588952
1-quinazolin-2-ylpiperazine-2-carboxamide
CID 114789482
2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid
CID 62032967
2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
CID 136958964
1-quinazolin-2-ylpiperidine-2-carbaldehyde
CID 114789784
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663
2-[1-(4-bromo-2-carbamoylphenyl)-3-oxopiperazin-2-yl]acetic acid
CID 114890122
2-[1-(2-cyano-3-fluorophenyl)-3-oxopiperazin-2-yl]acetic acid
CID 79513830
2-[1-(2-methylsulfanylpyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034402

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid?
The IUPAC name of 2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid (CID 114788579) is 2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid is O=C(O)CC1C(=O)NCCN1c1ncc2ccccc2n1.
What is the InChIKey of 2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid?
The InChIKey is TWCJMMQPABNQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-12(20)7-11-13(21)15-5-6-18(11)14-16-8-9-3-1-2-4-10(9)17-14/h1-4,8,11H,5-7H2,(H,15,21)(H,19,20).
What are the key properties of 2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid?
2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid has a molecular weight of 286.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid is sourced from PubChem (CID 114788579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).