5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline

C16H25NO2 — CID 63386466

IUPAC5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CNc2c(OCC)ccc(OCC)c2C1
InChIInChI=1S/C16H25NO2/c1-4-7-12-10-13-14(18-5-2)8-9-15(19-6-3)16(13)17-11-12/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyCBWZCHDNCCKBOB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.87
Rot. Bonds6

About 5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline

5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline (PubChem CID 63386466) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline
PubChem CID63386466
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CNc2c(OCC)ccc(OCC)c2C1
InChIInChI=1S/C16H25NO2/c1-4-7-12-10-13-14(18-5-2)8-9-15(19-6-3)16(13)17-11-12/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyCBWZCHDNCCKBOB-UHFFFAOYSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 105356216
2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene
CID 153282428
2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
CID 23052003
5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline
CID 63386189
1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene
CID 118312086
3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386374
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
(3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 99981441
1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene
CID 58953172
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
CID 162718702

Frequently Asked Questions

What is the IUPAC name of 5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline (CID 63386466) is 5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline is CCCC1CNc2c(OCC)ccc(OCC)c2C1.
What is the InChIKey of 5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is CBWZCHDNCCKBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-7-12-10-13-14(18-5-2)8-9-15(19-6-3)16(13)17-11-12/h8-9,12,17H,4-7,10-11H2,1-3H3.
What are the key properties of 5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline?
5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 263.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethoxy-3-propyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63386466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).