N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide

C18H24N4O4 — CID 146459694

IUPACN-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCN1CCN(CCO)CC1)C1C(=O)Nc2ccccc2C1=O
InChIInChI=1S/C18H24N4O4/c23-12-11-22-9-7-21(8-10-22)6-5-19-17(25)15-16(24)13-3-1-2-4-14(13)20-18(15)26/h1-4,15,23H,5-12H2,(H,19,25)(H,20,26)
InChIKeyHVPPIGKZPPUSAP-UHFFFAOYSA-N
MW360.41 g/mol
LogP-0.84
Rot. Bonds6

About N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide

N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide (PubChem CID 146459694) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide
PubChem CID146459694
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCN1CCN(CCO)CC1)C1C(=O)Nc2ccccc2C1=O
InChIInChI=1S/C18H24N4O4/c23-12-11-22-9-7-21(8-10-22)6-5-19-17(25)15-16(24)13-3-1-2-4-14(13)20-18(15)26/h1-4,15,23H,5-12H2,(H,19,25)(H,20,26)
InChIKeyHVPPIGKZPPUSAP-UHFFFAOYSA-N
XLogP-0.84
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R,4R,5S)-3-methyl-2,6-dioxo-N-(2-pyrrolidin-1-ylethyl)-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
CID 92604187
(3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
CID 110224229
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134025863
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 134813181
N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide
CID 3616347
N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 92667177
4-(2-hydroxyethyl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
CID 121495919
N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24708170
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 39303318
(3R,4R)-N-[2,2-dimethyl-3-(4-methylpiperazin-1-yl)propyl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
CID 110224265
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-piperazin-1-ylethyl)urea
CID 108889439
3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione
CID 15153355

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide (CID 146459694) is N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide is O=C(NCCN1CCN(CCO)CC1)C1C(=O)Nc2ccccc2C1=O.
What is the InChIKey of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide?
The InChIKey is HVPPIGKZPPUSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c23-12-11-22-9-7-21(8-10-22)6-5-19-17(25)15-16(24)13-3-1-2-4-14(13)20-18(15)26/h1-4,15,23H,5-12H2,(H,19,25)(H,20,26).
What are the key properties of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide?
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of -0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 146459694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).