6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid

C17H19ClN2O3 — CID 12944899

IUPAC6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCCCC3)cc21
InChIInChI=1S/C17H19ClN2O3/c1-2-19-10-12(17(22)23)16(21)11-8-13(18)15(9-14(11)19)20-6-4-3-5-7-20/h8-10H,2-7H2,1H3,(H,22,23)
InChIKeyVNUQHXQZYKGCMQ-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.36
Rot. Bonds3

About 6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid

6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid (PubChem CID 12944899) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
PubChem CID12944899
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCCCC3)cc21
InChIInChI=1S/C17H19ClN2O3/c1-2-19-10-12(17(22)23)16(21)11-8-13(18)15(9-14(11)19)20-6-4-3-5-7-20/h8-10H,2-7H2,1H3,(H,22,23)
InChIKeyVNUQHXQZYKGCMQ-UHFFFAOYSA-N
XLogP3.36
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one
CID 127052342
6-chloro-1-ethyl-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]quinoline-3-carboxylic acid
CID 13320450
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate
CID 141190210
1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid
CID 15797326
1-ethyl-6-iodo-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 102122995
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
1-ethyl-6-fluoro-4-oxo-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 15097881
potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride
CID 173371449
7-[4-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10481296
ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate
CID 141190183

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid (CID 12944899) is 6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCCCC3)cc21.
What is the InChIKey of 6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid?
The InChIKey is VNUQHXQZYKGCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-2-19-10-12(17(22)23)16(21)11-8-13(18)15(9-14(11)19)20-6-4-3-5-7-20/h8-10H,2-7H2,1H3,(H,22,23).
What are the key properties of 6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid?
6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid has a molecular weight of 334.80 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 12944899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).