4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid

C21H19N3O4 — CID 70692446

IUPAC4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCN(c3ccccc3)C(=O)C2)c2ccccn2c1=O
InChIInChI=1S/C21H19N3O4/c25-19-14-22(10-11-23(19)16-6-2-1-3-7-16)13-15-12-17(21(27)28)20(26)24-9-5-4-8-18(15)24/h1-9,12H,10-11,13-14H2,(H,27,28)
InChIKeyMMOYCRVZSALJKA-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.85
Rot. Bonds4

About 4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid

4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid (PubChem CID 70692446) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
PubChem CID70692446
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCN(c3ccccc3)C(=O)C2)c2ccccn2c1=O
InChIInChI=1S/C21H19N3O4/c25-19-14-22(10-11-23(19)16-6-2-1-3-7-16)13-15-12-17(21(27)28)20(26)24-9-5-4-8-18(15)24/h1-9,12H,10-11,13-14H2,(H,27,28)
InChIKeyMMOYCRVZSALJKA-UHFFFAOYSA-N
XLogP1.85
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid (CID 70692446) is 4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid is O=C(O)c1cc(CN2CCN(c3ccccc3)C(=O)C2)c2ccccn2c1=O.
What is the InChIKey of 4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid?
The InChIKey is MMOYCRVZSALJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-19-14-22(10-11-23(19)16-6-2-1-3-7-16)13-15-12-17(21(27)28)20(26)24-9-5-4-8-18(15)24/h1-9,12H,10-11,13-14H2,(H,27,28).
What are the key properties of 4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid?
4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid has a molecular weight of 377.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid is sourced from PubChem (CID 70692446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).