5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide

C17H22N4O2 — CID 138533305

IUPAC5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)NCCN3CCNCC3)cc(=O)c12
InChIInChI=1S/C17H22N4O2/c1-12-3-2-4-13-16(12)15(22)11-14(20-13)17(23)19-7-10-21-8-5-18-6-9-21/h2-4,11,18H,5-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyOVSOPWAQIRAFGP-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.47
Rot. Bonds4

About 5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide

5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide (PubChem CID 138533305) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide
PubChem CID138533305
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)NCCN3CCNCC3)cc(=O)c12
InChIInChI=1S/C17H22N4O2/c1-12-3-2-4-13-16(12)15(22)11-14(20-13)17(23)19-7-10-21-8-5-18-6-9-21/h2-4,11,18H,5-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyOVSOPWAQIRAFGP-UHFFFAOYSA-N
XLogP0.47
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
2-methyl-N-(2-piperazin-1-ylethyl)-5-sulfanylbenzamide
CID 107024052
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide
CID 138533345
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 71010276
2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119448604
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108897157
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide
CID 119446970

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide?
The IUPAC name of 5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide (CID 138533305) is 5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide.
What is the SMILES notation for 5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide?
The canonical SMILES for 5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide is Cc1cccc2[nH]c(C(=O)NCCN3CCNCC3)cc(=O)c12.
What is the InChIKey of 5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide?
The InChIKey is OVSOPWAQIRAFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-3-2-4-13-16(12)15(22)11-14(20-13)17(23)19-7-10-21-8-5-18-6-9-21/h2-4,11,18H,5-10H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide?
5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide is sourced from PubChem (CID 138533305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).