1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

C20H20N4O3 — CID 3002926

IUPAC1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4ccccn4)CC3)cc21
InChIInChI=1S/C20H20N4O3/c1-22-13-16(20(26)27)19(25)15-6-5-14(12-17(15)22)23-8-10-24(11-9-23)18-4-2-3-7-21-18/h2-7,12-13H,8-11H2,1H3,(H,26,27)
InChIKeyRBBXMNOQXBLOIV-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.96
Rot. Bonds3

About 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid (PubChem CID 3002926) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
PubChem CID3002926
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4ccccn4)CC3)cc21
InChIInChI=1S/C20H20N4O3/c1-22-13-16(20(26)27)19(25)15-6-5-14(12-17(15)22)23-8-10-24(11-9-23)18-4-2-3-7-21-18/h2-7,12-13H,8-11H2,1H3,(H,26,27)
InChIKeyRBBXMNOQXBLOIV-UHFFFAOYSA-N
XLogP1.96
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid?
The IUPAC name of 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid (CID 3002926) is 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4ccccn4)CC3)cc21.
What is the InChIKey of 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid?
The InChIKey is RBBXMNOQXBLOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-22-13-16(20(26)27)19(25)15-6-5-14(12-17(15)22)23-8-10-24(11-9-23)18-4-2-3-7-21-18/h2-7,12-13H,8-11H2,1H3,(H,26,27).
What are the key properties of 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid?
1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid has a molecular weight of 364.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid is sourced from PubChem (CID 3002926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).