3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline

C19H23N3O2 — CID 70080438

IUPAC3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline
SMILESCOc1ccn2c1cnc1c(OCCN3CCCCC3)cccc12
InChIInChI=1S/C19H23N3O2/c1-23-17-8-11-22-15-6-5-7-18(19(15)20-14-16(17)22)24-13-12-21-9-3-2-4-10-21/h5-8,11,14H,2-4,9-10,12-13H2,1H3
InChIKeyPESIPFQSYLWKPJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.36
Rot. Bonds5

About 3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline

3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline (PubChem CID 70080438) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline
PubChem CID70080438
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline
SMILESCOc1ccn2c1cnc1c(OCCN3CCCCC3)cccc12
InChIInChI=1S/C19H23N3O2/c1-23-17-8-11-22-15-6-5-7-18(19(15)20-14-16(17)22)24-13-12-21-9-3-2-4-10-21/h5-8,11,14H,2-4,9-10,12-13H2,1H3
InChIKeyPESIPFQSYLWKPJ-UHFFFAOYSA-N
XLogP3.36
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22684728
1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine
CID 135155342
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline
CID 66746119
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
CID 58817389
3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzenecarbothioamide
CID 22687601
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline (CID 70080438) is 3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline is COc1ccn2c1cnc1c(OCCN3CCCCC3)cccc12.
What is the InChIKey of 3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline?
The InChIKey is PESIPFQSYLWKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-23-17-8-11-22-15-6-5-7-18(19(15)20-14-16(17)22)24-13-12-21-9-3-2-4-10-21/h5-8,11,14H,2-4,9-10,12-13H2,1H3.
What are the key properties of 3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline?
3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline has a molecular weight of 325.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 70080438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).