4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide

C16H18N4O3 — CID 119403797

IUPAC4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCC(=O)N1CCNCC1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C16H18N4O3/c21-14(20-7-5-17-6-8-20)10-19-16(23)12-9-18-13-4-2-1-3-11(13)15(12)22/h1-4,9,17H,5-8,10H2,(H,18,22)(H,19,23)
InChIKeyAXNCYQCPGAMUNU-UHFFFAOYSA-N
MW314.34 g/mol
LogP-0.31
Rot. Bonds3

About 4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide

4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide (PubChem CID 119403797) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
PubChem CID119403797
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCC(=O)N1CCNCC1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C16H18N4O3/c21-14(20-7-5-17-6-8-20)10-19-16(23)12-9-18-13-4-2-1-3-11(13)15(12)22/h1-4,9,17H,5-8,10H2,(H,18,22)(H,19,23)
InChIKeyAXNCYQCPGAMUNU-UHFFFAOYSA-N
XLogP-0.31
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 119542313
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119664601
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55790883
N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 119652095
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119469697
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide
CID 95581953
4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 55702746
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 95091675
4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 38762920

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide (CID 119403797) is 4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide is O=C(NCC(=O)N1CCNCC1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is AXNCYQCPGAMUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-14(20-7-5-17-6-8-20)10-19-16(23)12-9-18-13-4-2-1-3-11(13)15(12)22/h1-4,9,17H,5-8,10H2,(H,18,22)(H,19,23).
What are the key properties of 4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide?
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 119403797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).