[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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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).