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

C20H24N4O — CID 109186328

IUPAC[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(N3CCCc4ccccc43)cn2)CC1
InChIInChI=1S/C20H24N4O/c1-22-11-13-23(14-12-22)20(25)18-9-8-17(15-21-18)24-10-4-6-16-5-2-3-7-19(16)24/h2-3,5,7-9,15H,4,6,10-14H2,1H3
InChIKeyREFSNBLYCKYOKL-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.55
Rot. Bonds2

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

[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109186328) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109186328
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(N3CCCc4ccccc43)cn2)CC1
InChIInChI=1S/C20H24N4O/c1-22-11-13-23(14-12-22)20(25)18-9-8-17(15-21-18)24-10-4-6-16-5-2-3-7-19(16)24/h2-3,5,7-9,15H,4,6,10-14H2,1H3
InChIKeyREFSNBLYCKYOKL-UHFFFAOYSA-N
XLogP2.55
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone
CID 83120051
(4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone
CID 109193357
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203703
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204447
N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide
CID 136990684
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109197953
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186297
[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109186471
[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109196863
N-[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]propanamide
CID 113031855
[5-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275086
N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109197949

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109186328) is [5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(N3CCCc4ccccc43)cn2)CC1.
What is the InChIKey of [5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is REFSNBLYCKYOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-22-11-13-23(14-12-22)20(25)18-9-8-17(15-21-18)24-10-4-6-16-5-2-3-7-19(16)24/h2-3,5,7-9,15H,4,6,10-14H2,1H3.
What are the key properties of [5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 336.44 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109186328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).