(2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone

C23H29N3O3 — CID 110361448

IUPAC(2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(CCN2CCCC2)c2ccccc21
InChIInChI=1S/C23H29N3O3/c1-28-20-10-7-11-21(29-2)22(20)23(27)26-17-16-25(15-14-24-12-5-6-13-24)18-8-3-4-9-19(18)26/h3-4,7-11H,5-6,12-17H2,1-2H3
InChIKeyGPBKMMHMDCNMSU-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.27
Rot. Bonds6

About (2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone

(2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone (PubChem CID 110361448) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
PubChem CID110361448
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name(2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(CCN2CCCC2)c2ccccc21
InChIInChI=1S/C23H29N3O3/c1-28-20-10-7-11-21(29-2)22(20)23(27)26-17-16-25(15-14-24-12-5-6-13-24)18-8-3-4-9-19(18)26/h3-4,7-11H,5-6,12-17H2,1-2H3
InChIKeyGPBKMMHMDCNMSU-UHFFFAOYSA-N
XLogP3.27
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone
CID 110358672
3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361480
2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 110361453
1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
CID 110361424
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
(2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
CID 91911914
2,2-dimethyl-1-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361546
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110688170
(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81393898
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
(2,6-dimethoxyphenyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074998
1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050990

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone (CID 110361448) is (2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCN(CCN2CCCC2)c2ccccc21.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone?
The InChIKey is GPBKMMHMDCNMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-28-20-10-7-11-21(29-2)22(20)23(27)26-17-16-25(15-14-24-12-5-6-13-24)18-8-3-4-9-19(18)26/h3-4,7-11H,5-6,12-17H2,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone has a molecular weight of 395.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone is sourced from PubChem (CID 110361448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).