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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Related Compounds

4-Oxo-1-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolizine-3-carboxylic acid
CID 44156749
4H-Quinolizine-3-carboxylic acid, 1-[[4-(4-cyanophenyl)-1-piperazinyl]methyl]-4-oxo-
CID 44156750
1-[[4-(4-Bromophenyl)piperazin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 70688263
4-Oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
CID 70696545
(E)-4-oxo-4-(4-phenylpiperazin-1-yl)but-2-enoic acid
CID 2323442
2-Oxo-1-phenyl-1,2-dihydropyridine-3-carboxylic acid
CID 21081585
1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 21081527
5-(Dimethylamino)-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylic acid
CID 21081701
1-{[2-(3-fluorophenyl)-3-oxo-4-phenylpiperazin-1-yl]methyl}-4-oxo-4H-quinolizine-3-carboxylic acid
CID 44155101
2-(4-Fluorophenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxylic acid
CID 50742384
1-(4-Fluorophenyl)-5-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 58158523
1-[[4-(3,5-Difluorophenyl)piperazin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 59626754

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).