[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

C22H24N4O — CID 119519440

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C22H24N4O/c1-15(23)16-8-11-26(12-9-16)22(27)19-13-21(17-5-4-10-24-14-17)25-20-7-3-2-6-18(19)20/h2-7,10,13-16H,8-9,11-12,23H2,1H3
InChIKeyXJIJXOVTBGFCDX-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.50
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone (PubChem CID 119519440) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
PubChem CID119519440
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C22H24N4O/c1-15(23)16-8-11-26(12-9-16)22(27)19-13-21(17-5-4-10-24-14-17)25-20-7-3-2-6-18(19)20/h2-7,10,13-16H,8-9,11-12,23H2,1H3
InChIKeyXJIJXOVTBGFCDX-UHFFFAOYSA-N
XLogP3.50
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119520643
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119380128
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 119594358
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 30339243
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 56522168
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119518663
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone (CID 119519440) is [4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone is CC(N)C1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone?
The InChIKey is XJIJXOVTBGFCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(23)16-8-11-26(12-9-16)22(27)19-13-21(17-5-4-10-24-14-17)25-20-7-3-2-6-18(19)20/h2-7,10,13-16H,8-9,11-12,23H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone is sourced from PubChem (CID 119519440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).