1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one

C25H29N3O4 — CID 44592256

IUPAC1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one
SMILESCOc1cc(-n2ccnc(OCCc3ccccc3)c2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C25H29N3O4/c1-30-23-19-21(9-10-22(23)31-18-16-27-13-5-6-14-27)28-15-12-26-24(25(28)29)32-17-11-20-7-3-2-4-8-20/h2-4,7-10,12,15,19H,5-6,11,13-14,16-18H2,1H3
InChIKeyKSQKNCXHKSMPJW-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.34
Rot. Bonds10

About 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one

1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one (PubChem CID 44592256) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one
PubChem CID44592256
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one
SMILESCOc1cc(-n2ccnc(OCCc3ccccc3)c2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C25H29N3O4/c1-30-23-19-21(9-10-22(23)31-18-16-27-13-5-6-14-27)28-15-12-26-24(25(28)29)32-17-11-20-7-3-2-4-8-20/h2-4,7-10,12,15,19H,5-6,11,13-14,16-18H2,1H3
InChIKeyKSQKNCXHKSMPJW-UHFFFAOYSA-N
XLogP3.34
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one?
The IUPAC name of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one (CID 44592256) is 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one.
What is the SMILES notation for 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one?
The canonical SMILES for 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one is COc1cc(-n2ccnc(OCCc3ccccc3)c2=O)ccc1OCCN1CCCC1.
What is the InChIKey of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one?
The InChIKey is KSQKNCXHKSMPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-30-23-19-21(9-10-22(23)31-18-16-27-13-5-6-14-27)28-15-12-26-24(25(28)29)32-17-11-20-7-3-2-4-8-20/h2-4,7-10,12,15,19H,5-6,11,13-14,16-18H2,1H3.
What are the key properties of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one?
1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one has a molecular weight of 435.52 g/mol, XLogP of 3.34, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethoxy)pyrazin-2-one is sourced from PubChem (CID 44592256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).