1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone

C22H24N4O3 — CID 109084967

IUPAC1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(C(=O)N3CCCc4ccccc43)ccn2)CC1
InChIInChI=1S/C22H24N4O3/c1-16(27)24-11-13-25(14-12-24)22(29)19-15-18(8-9-23-19)21(28)26-10-4-6-17-5-2-3-7-20(17)26/h2-3,5,7-9,15H,4,6,10-14H2,1H3
InChIKeyQVEDZAFNOJXCAA-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.98
Rot. Bonds2

About 1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109084967) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID109084967
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(C(=O)N3CCCc4ccccc43)ccn2)CC1
InChIInChI=1S/C22H24N4O3/c1-16(27)24-11-13-25(14-12-24)22(29)19-15-18(8-9-23-19)21(28)26-10-4-6-17-5-2-3-7-20(17)26/h2-3,5,7-9,15H,4,6,10-14H2,1H3
InChIKeyQVEDZAFNOJXCAA-UHFFFAOYSA-N
XLogP1.98
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109090729
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081719
2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone
CID 109088614
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109091644
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109091643
[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109087851
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109091636
N-tert-butyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109089256
3,4-dihydro-2H-quinolin-1-yl-[2-(ethylamino)-4-pyridinyl]methanone
CID 62172303
4-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109091330
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203703

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone (CID 109084967) is 1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(C(=O)N3CCCc4ccccc43)ccn2)CC1.
What is the InChIKey of 1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is QVEDZAFNOJXCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16(27)24-11-13-25(14-12-24)22(29)19-15-18(8-9-23-19)21(28)26-10-4-6-17-5-2-3-7-20(17)26/h2-3,5,7-9,15H,4,6,10-14H2,1H3.
What are the key properties of 1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 392.46 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109084967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).