1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid

C20H27N5O3 — CID 15797326

IUPAC1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(N3CCNCC3)c(N3CCNCC3)cc21
InChIInChI=1S/C20H27N5O3/c1-2-23-13-15(20(27)28)19(26)14-11-17(24-7-3-21-4-8-24)18(12-16(14)23)25-9-5-22-6-10-25/h11-13,21-22H,2-10H2,1H3,(H,27,28)
InChIKeyNEULWVYSUPNEKQ-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.54
Rot. Bonds4

About 1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid

1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid (PubChem CID 15797326) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid
PubChem CID15797326
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(N3CCNCC3)c(N3CCNCC3)cc21
InChIInChI=1S/C20H27N5O3/c1-2-23-13-15(20(27)28)19(26)14-11-17(24-7-3-21-4-8-24)18(12-16(14)23)25-9-5-22-6-10-25/h11-13,21-22H,2-10H2,1H3,(H,27,28)
InChIKeyNEULWVYSUPNEKQ-UHFFFAOYSA-N
XLogP0.54
TPSA89.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-ethyl-6-iodo-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 102122995
1,1-dimethoxyethane;1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 67896152
ethane;2-(1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinolin-3-yl)-2-oxoacetic acid
CID 144699505
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 166276301
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 12944899
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid
CID 70388183
1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 66842758
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
1-ethyl-6-fluoro-N-(2-hydroxyethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 10959389
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
N-butan-2-yl-1-ethyl-6-fluoro-N-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 166276124

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid (CID 15797326) is 1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(N3CCNCC3)c(N3CCNCC3)cc21.
What is the InChIKey of 1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid?
The InChIKey is NEULWVYSUPNEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-2-23-13-15(20(27)28)19(26)14-11-17(24-7-3-21-4-8-24)18(12-16(14)23)25-9-5-22-6-10-25/h11-13,21-22H,2-10H2,1H3,(H,27,28).
What are the key properties of 1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid?
1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid has a molecular weight of 385.47 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid is sourced from PubChem (CID 15797326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).