[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone

C22H29N3O2 — CID 11617590

IUPAC[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCCC4)ccc3c2)CC1
InChIInChI=1S/C22H29N3O2/c1-16(2)24-13-9-18(10-14-24)27-19-6-8-20-17(15-19)5-7-21(23-20)22(26)25-11-3-4-12-25/h5-8,15-16,18H,3-4,9-14H2,1-2H3
InChIKeyJFTLXBYVBAMXTO-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.72
Rot. Bonds4

About [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone

[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 11617590) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID11617590
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCCC4)ccc3c2)CC1
InChIInChI=1S/C22H29N3O2/c1-16(2)24-13-9-18(10-14-24)27-19-6-8-20-17(15-19)5-7-21(23-20)22(26)25-11-3-4-12-25/h5-8,15-16,18H,3-4,9-14H2,1-2H3
InChIKeyJFTLXBYVBAMXTO-UHFFFAOYSA-N
XLogP3.72
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
CID 11654491
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone
CID 11718271
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
morpholin-2-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
CID 67317473
[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-1-yl]-pyrrolidin-1-ylmethanone
CID 44578678
N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide
CID 11538827
(4-methoxypiperidin-1-yl)-(6-methoxyquinolin-2-yl)methanone
CID 56810636
(4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69067801
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69282604
N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide
CID 11703970
1-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carbonyl]piperidine-4-carboxamide
CID 69283945

Frequently Asked Questions

What is the IUPAC name of [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone (CID 11617590) is [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone is CC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCCC4)ccc3c2)CC1.
What is the InChIKey of [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JFTLXBYVBAMXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(2)24-13-9-18(10-14-24)27-19-6-8-20-17(15-19)5-7-21(23-20)22(26)25-11-3-4-12-25/h5-8,15-16,18H,3-4,9-14H2,1-2H3.
What are the key properties of [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone?
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 367.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 11617590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).