2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide

C17H21F3N4O3 — CID 120812563

IUPAC2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)NCC(N3CCNCC3)C(F)(F)F)cc21
InChIInChI=1S/C17H21F3N4O3/c18-17(19,20)14(24-6-4-21-5-7-24)9-22-15(26)11-8-10-12(23-16(11)27)2-1-3-13(10)25/h8,14,21H,1-7,9H2,(H,22,26)(H,23,27)
InChIKeyQKMOZVYWNCXWQZ-UHFFFAOYSA-N
MW386.37 g/mol
LogP0.46
Rot. Bonds4

About 2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide

2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 120812563) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID120812563
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC Name2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)NCC(N3CCNCC3)C(F)(F)F)cc21
InChIInChI=1S/C17H21F3N4O3/c18-17(19,20)14(24-6-4-21-5-7-24)9-22-15(26)11-8-10-12(23-16(11)27)2-1-3-13(10)25/h8,14,21H,1-7,9H2,(H,22,26)(H,23,27)
InChIKeyQKMOZVYWNCXWQZ-UHFFFAOYSA-N
XLogP0.46
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-N-ethyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 37586822
2-hydroxy-7-methyl-3-[(4-methylpiperazin-1-yl)carbonyl]-7,8-dihydroquinolin-5(6H)-one
CID 52996575
N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 71935794
3-(2,6-Dimethylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 53546552
3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 93608378
7-fluoro-N-methyl-4-oxo-8-piperazin-1-yl-1-propyl-6,9-dihydrocycloocta[b]pyridine-3-carboxamide
CID 163497124
3-[3-(Trifluoromethyl)piperidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 45804109
2,5-dioxo-N-propyl-N-(2,2,2-trifluoroethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53547057
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81107887
3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 93608379
2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide;hydrochloride
CID 120810686
2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 120810687

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 120812563) is 2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CCCc2[nH]c(=O)c(C(=O)NCC(N3CCNCC3)C(F)(F)F)cc21.
What is the InChIKey of 2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is QKMOZVYWNCXWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c18-17(19,20)14(24-6-4-21-5-7-24)9-22-15(26)11-8-10-12(23-16(11)27)2-1-3-13(10)25/h8,14,21H,1-7,9H2,(H,22,26)(H,23,27).
What are the key properties of 2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 386.37 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 120812563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).