4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol

C18H27NO — CID 65086041

IUPAC4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
SMILESCCC1CCCC(O)(C2CCc3ccccc3N2)CC1
InChIInChI=1S/C18H27NO/c1-2-14-6-5-12-18(20,13-11-14)17-10-9-15-7-3-4-8-16(15)19-17/h3-4,7-8,14,17,19-20H,2,5-6,9-13H2,1H3
InChIKeyBQKLFFOIWOYXRD-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.13
Rot. Bonds2

About 4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol

4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol (PubChem CID 65086041) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
PubChem CID65086041
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
SMILESCCC1CCCC(O)(C2CCc3ccccc3N2)CC1
InChIInChI=1S/C18H27NO/c1-2-14-6-5-12-18(20,13-11-14)17-10-9-15-7-3-4-8-16(15)19-17/h3-4,7-8,14,17,19-20H,2,5-6,9-13H2,1H3
InChIKeyBQKLFFOIWOYXRD-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-Tetrahydroquinolin-3-ol
CID 12542541
(1,2,3,4-Tetrahydroquinolin-3-yl)methanol
CID 12662987
2-(1,2,3,4-Tetrahydroquinolin-2-yl)ethan-1-ol
CID 85930828
2-(Hydroxymethyl)-1,2,3,4-tetrahydroquinolin-3-ol
CID 137640319
2-Octan-2-yl-1,2,3,4-tetrahydroquinoline
CID 56960045
(2S)-1,2,3,4-Tetrahydro-2-quinolinemethanol
CID 10103467
2-methyl-1-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]propan-2-ol
CID 11680045
2-(3-Hydroxypropyl)-1,2,3,4-tetrahydroquinoline
CID 15260550
2-Methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol
CID 25210789
(3S)-1,2,3,4-Tetrahydroquinolin-3-ol
CID 25223044
(3R)-1,2,3,4-Tetrahydroquinolin-3-OL
CID 71738666
(3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol
CID 121334777

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol (CID 65086041) is 4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol is CCC1CCCC(O)(C2CCc3ccccc3N2)CC1.
What is the InChIKey of 4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol?
The InChIKey is BQKLFFOIWOYXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-14-6-5-12-18(20,13-11-14)17-10-9-15-7-3-4-8-16(15)19-17/h3-4,7-8,14,17,19-20H,2,5-6,9-13H2,1H3.
What are the key properties of 4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol?
4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol is sourced from PubChem (CID 65086041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).