piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone

C20H19N3O — CID 13336341

IUPACpiperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCCCC1
InChIInChI=1S/C20H19N3O/c24-20(23-12-6-1-7-13-23)16-14-19(18-10-4-5-11-21-18)22-17-9-3-2-8-15(16)17/h2-5,8-11,14H,1,6-7,12-13H2
InChIKeyVHHDPOBUOJQKKL-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.92
Rot. Bonds2

About piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone

piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone (PubChem CID 13336341) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
PubChem CID13336341
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Namepiperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCCCC1
InChIInChI=1S/C20H19N3O/c24-20(23-12-6-1-7-13-23)16-14-19(18-10-4-5-11-21-18)22-17-9-3-2-8-15(16)17/h2-5,8-11,14H,1,6-7,12-13H2
InChIKeyVHHDPOBUOJQKKL-UHFFFAOYSA-N
XLogP3.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
(4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 17430035
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 39036597
azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 3580966
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 166199749
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
CID 62154164
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone?
The IUPAC name of piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone (CID 13336341) is piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone?
The canonical SMILES for piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone is O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone?
The InChIKey is VHHDPOBUOJQKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(23-12-6-1-7-13-23)16-14-19(18-10-4-5-11-21-18)22-17-9-3-2-8-15(16)17/h2-5,8-11,14H,1,6-7,12-13H2.
What are the key properties of piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone?
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 13336341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).