3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline

C16H19N3 — CID 82156838

IUPAC3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
SMILESCCC1CNc2ccccc2N1Cc1cccnc1
InChIInChI=1S/C16H19N3/c1-2-14-11-18-15-7-3-4-8-16(15)19(14)12-13-6-5-9-17-10-13/h3-10,14,18H,2,11-12H2,1H3
InChIKeyPMAYSMKUPJMMCO-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.29
Rot. Bonds3

About 3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline

3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 82156838) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
PubChem CID82156838
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
SMILESCCC1CNc2ccccc2N1Cc1cccnc1
InChIInChI=1S/C16H19N3/c1-2-14-11-18-15-7-3-4-8-16(15)19(14)12-13-6-5-9-17-10-13/h3-10,14,18H,2,11-12H2,1H3
InChIKeyPMAYSMKUPJMMCO-UHFFFAOYSA-N
XLogP3.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 82156847
1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 62876131
4-benzyl-3-ethyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one
CID 56875104
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine
CID 64831744
3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 115318590
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876595
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
CID 54977770
2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 142774277
bis(pyridin-3-ylmethyl)azanium
CID 6946562
(3S,6S)-3,6-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 155810252
2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 74224086

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline (CID 82156838) is 3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline is CCC1CNc2ccccc2N1Cc1cccnc1.
What is the InChIKey of 3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is PMAYSMKUPJMMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-14-11-18-15-7-3-4-8-16(15)19(14)12-13-6-5-9-17-10-13/h3-10,14,18H,2,11-12H2,1H3.
What are the key properties of 3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline?
3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 253.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 82156838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).