3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone

C21H26N4O — CID 109230630

IUPAC3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCCN1CCN(c2cncc(C(=O)N3CCCc4ccccc43)c2)CC1
InChIInChI=1S/C21H26N4O/c1-2-23-10-12-24(13-11-23)19-14-18(15-22-16-19)21(26)25-9-5-7-17-6-3-4-8-20(17)25/h3-4,6,8,14-16H,2,5,7,9-13H2,1H3
InChIKeyFSHRAUGFLBYUMJ-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.82
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone

3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone (PubChem CID 109230630) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
PubChem CID109230630
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCCN1CCN(c2cncc(C(=O)N3CCCc4ccccc43)c2)CC1
InChIInChI=1S/C21H26N4O/c1-2-23-10-12-24(13-11-23)19-14-18(15-22-16-19)21(26)25-9-5-7-17-6-3-4-8-20(17)25/h3-4,6,8,14-16H,2,5,7,9-13H2,1H3
InChIKeyFSHRAUGFLBYUMJ-UHFFFAOYSA-N
XLogP2.82
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230309
[5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 155561319
4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde
CID 109230932
N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide
CID 109102375
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 109225700
2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone
CID 109238062
[5-(cyclopropylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109223845
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109232136
[5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109242554
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229964
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone (CID 109230630) is 3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone is CCN1CCN(c2cncc(C(=O)N3CCCc4ccccc43)c2)CC1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone?
The InChIKey is FSHRAUGFLBYUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-23-10-12-24(13-11-23)19-14-18(15-22-16-19)21(26)25-9-5-7-17-6-3-4-8-20(17)25/h3-4,6,8,14-16H,2,5,7,9-13H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone has a molecular weight of 350.47 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 109230630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).