[2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C20H22ClN3O2 — CID 56878296

IUPAC[2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccnc1N1CCOC(c2ccc(Cl)cc2)C1)N1CCCC1
InChIInChI=1S/C20H22ClN3O2/c21-16-7-5-15(6-8-16)18-14-24(12-13-26-18)19-17(4-3-9-22-19)20(25)23-10-1-2-11-23/h3-9,18H,1-2,10-14H2
InChIKeyZMQVOJZHSZHYTN-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.55
Rot. Bonds3

About [2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 56878296) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID56878296
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name[2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccnc1N1CCOC(c2ccc(Cl)cc2)C1)N1CCCC1
InChIInChI=1S/C20H22ClN3O2/c21-16-7-5-15(6-8-16)18-14-24(12-13-26-18)19-17(4-3-9-22-19)20(25)23-10-1-2-11-23/h3-9,18H,1-2,10-14H2
InChIKeyZMQVOJZHSZHYTN-UHFFFAOYSA-N
XLogP3.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 56878296) is [2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1cccnc1N1CCOC(c2ccc(Cl)cc2)C1)N1CCCC1.
What is the InChIKey of [2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZMQVOJZHSZHYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-16-7-5-15(6-8-16)18-14-24(12-13-26-18)19-17(4-3-9-22-19)20(25)23-10-1-2-11-23/h3-9,18H,1-2,10-14H2.
What are the key properties of [2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 371.87 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56878296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).