6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

C24H22N4O4 — CID 42609842

IUPAC6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(O)c(N3CCN(c4ccc5ccccc5n4)CC3)cc21
InChIInChI=1S/C24H22N4O4/c1-26-14-17(24(31)32)23(30)16-12-21(29)20(13-19(16)26)27-8-10-28(11-9-27)22-7-6-15-4-2-3-5-18(15)25-22/h2-7,12-14,29H,8-11H2,1H3,(H,31,32)
InChIKeyYRWPCULLDFSFAC-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.82
Rot. Bonds3

About 6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid (PubChem CID 42609842) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
PubChem CID42609842
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(O)c(N3CCN(c4ccc5ccccc5n4)CC3)cc21
InChIInChI=1S/C24H22N4O4/c1-26-14-17(24(31)32)23(30)16-12-21(29)20(13-19(16)26)27-8-10-28(11-9-27)22-7-6-15-4-2-3-5-18(15)25-22/h2-7,12-14,29H,8-11H2,1H3,(H,31,32)
InChIKeyYRWPCULLDFSFAC-UHFFFAOYSA-N
XLogP2.82
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid?
The IUPAC name of 6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid (CID 42609842) is 6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid?
The canonical SMILES for 6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2cc(O)c(N3CCN(c4ccc5ccccc5n4)CC3)cc21.
What is the InChIKey of 6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid?
The InChIKey is YRWPCULLDFSFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-26-14-17(24(31)32)23(30)16-12-21(29)20(13-19(16)26)27-8-10-28(11-9-27)22-7-6-15-4-2-3-5-18(15)25-22/h2-7,12-14,29H,8-11H2,1H3,(H,31,32).
What are the key properties of 6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid?
6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid has a molecular weight of 430.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid is sourced from PubChem (CID 42609842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).