6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid

C23H29N5O4 — CID 50784138

IUPAC6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2nc(N3CCN(CC(=O)N4CCCCC4)CC3)cc(C(=O)O)c2c1
InChIInChI=1S/C23H29N5O4/c1-16(29)24-17-5-6-20-18(13-17)19(23(31)32)14-21(25-20)27-11-9-26(10-12-27)15-22(30)28-7-3-2-4-8-28/h5-6,13-14H,2-4,7-12,15H2,1H3,(H,24,29)(H,31,32)
InChIKeyNITOPOHOUHCVBD-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.03
Rot. Bonds5

About 6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid

6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid (PubChem CID 50784138) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid
PubChem CID50784138
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2nc(N3CCN(CC(=O)N4CCCCC4)CC3)cc(C(=O)O)c2c1
InChIInChI=1S/C23H29N5O4/c1-16(29)24-17-5-6-20-18(13-17)19(23(31)32)14-21(25-20)27-11-9-26(10-12-27)15-22(30)28-7-3-2-4-8-28/h5-6,13-14H,2-4,7-12,15H2,1H3,(H,24,29)(H,31,32)
InChIKeyNITOPOHOUHCVBD-UHFFFAOYSA-N
XLogP2.03
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid with MolForge

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Related Compounds

6-(2,2-dimethylpropanoylamino)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784209
6-(2,2-dimethylpropanoylamino)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784210
6-acetamido-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 46327001
6-(3-methylbutanoylamino)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784091
6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784166
6-[(2-chlorobenzoyl)amino]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784084
2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55448995
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-6-[(2-methoxyacetyl)amino]quinoline-4-carboxylic acid
CID 50784030
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-6-(propanoylamino)quinoline-4-carboxylic acid
CID 50783972
6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50783577
1-(azepan-1-yl)-2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829879
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-6-[(4-fluorobenzoyl)amino]quinoline-4-carboxylic acid
CID 50784045

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid?
The IUPAC name of 6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid (CID 50784138) is 6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid is CC(=O)Nc1ccc2nc(N3CCN(CC(=O)N4CCCCC4)CC3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid?
The InChIKey is NITOPOHOUHCVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-16(29)24-17-5-6-20-18(13-17)19(23(31)32)14-21(25-20)27-11-9-26(10-12-27)15-22(30)28-7-3-2-4-8-28/h5-6,13-14H,2-4,7-12,15H2,1H3,(H,24,29)(H,31,32).
What are the key properties of 6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid?
6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid has a molecular weight of 439.52 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 50784138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).