3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione

C17H23N3O3 — CID 66495512

IUPAC3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCCN1CCN(C(=O)c2cc3c([nH]c2=O)CC(C)CC3=O)CC1
InChIInChI=1S/C17H23N3O3/c1-3-19-4-6-20(7-5-19)17(23)13-10-12-14(18-16(13)22)8-11(2)9-15(12)21/h10-11H,3-9H2,1-2H3,(H,18,22)
InChIKeyXQIWSZHLZVURRA-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.92
Rot. Bonds2

About 3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione

3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 66495512) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID66495512
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCCN1CCN(C(=O)c2cc3c([nH]c2=O)CC(C)CC3=O)CC1
InChIInChI=1S/C17H23N3O3/c1-3-19-4-6-20(7-5-19)17(23)13-10-12-14(18-16(13)22)8-11(2)9-15(12)21/h10-11H,3-9H2,1-2H3,(H,18,22)
InChIKeyXQIWSZHLZVURRA-UHFFFAOYSA-N
XLogP0.92
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione with MolForge

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 36772912
(7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397499
(7R)-3-(morpholine-4-carbonyl)-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 95196562
3-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 56564846
7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione
CID 17020151
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495383
N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495570
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495324
3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 56564223
(4-ethylpiperazin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 25236090
(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 25236189

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 66495512) is 3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione is CCN1CCN(C(=O)c2cc3c([nH]c2=O)CC(C)CC3=O)CC1.
What is the InChIKey of 3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is XQIWSZHLZVURRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-19-4-6-20(7-5-19)17(23)13-10-12-14(18-16(13)22)8-11(2)9-15(12)21/h10-11H,3-9H2,1-2H3,(H,18,22).
What are the key properties of 3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 317.39 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 66495512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).