3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one

C24H31N3O2 — CID 110361480

IUPAC3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(CCN2CCCC2)c2ccccc21
InChIInChI=1S/C24H31N3O2/c1-29-23-11-5-2-8-20(23)12-13-24(28)27-19-18-26(17-16-25-14-6-7-15-25)21-9-3-4-10-22(21)27/h2-5,8-11H,6-7,12-19H2,1H3
InChIKeyRCKAHMCQFULYSP-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.58
Rot. Bonds7

About 3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one

3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one (PubChem CID 110361480) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
PubChem CID110361480
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(CCN2CCCC2)c2ccccc21
InChIInChI=1S/C24H31N3O2/c1-29-23-11-5-2-8-20(23)12-13-24(28)27-19-18-26(17-16-25-14-6-7-15-25)21-9-3-4-10-22(21)27/h2-5,8-11H,6-7,12-19H2,1H3
InChIKeyRCKAHMCQFULYSP-UHFFFAOYSA-N
XLogP3.58
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 110361448
1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
CID 110361424
2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 110361453
3-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethoxy)propanamide
CID 110643090
3-(2-methoxyphenyl)-N-methyl-N-(2-piperidin-1-ylethyl)propanamide
CID 110753414
3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one
CID 16623449
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one
CID 30271420
3-(2-methoxyphenyl)-1-[4-(3-oxo-3-phenylpropyl)piperazin-1-yl]propan-1-one
CID 110398643
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110688170
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865
3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one (CID 110361480) is 3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one is COc1ccccc1CCC(=O)N1CCN(CCN2CCCC2)c2ccccc21.
What is the InChIKey of 3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one?
The InChIKey is RCKAHMCQFULYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-29-23-11-5-2-8-20(23)12-13-24(28)27-19-18-26(17-16-25-14-6-7-15-25)21-9-3-4-10-22(21)27/h2-5,8-11H,6-7,12-19H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one?
3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one has a molecular weight of 393.53 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one is sourced from PubChem (CID 110361480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).