2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol

C17H25NO2 — CID 79746070

IUPAC2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol
SMILESCCCC1CC(O)(C2CCCc3cccnc32)CCO1
InChIInChI=1S/C17H25NO2/c1-2-5-14-12-17(19,9-11-20-14)15-8-3-6-13-7-4-10-18-16(13)15/h4,7,10,14-15,19H,2-3,5-6,8-9,11-12H2,1H3
InChIKeySYDBFODPMRDQJO-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.21
Rot. Bonds3

About 2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol

2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol (PubChem CID 79746070) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol.

Molecular Properties

Compound Name2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol
PubChem CID79746070
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol
SMILESCCCC1CC(O)(C2CCCc3cccnc32)CCO1
InChIInChI=1S/C17H25NO2/c1-2-5-14-12-17(19,9-11-20-14)15-8-3-6-13-7-4-10-18-16(13)15/h4,7,10,14-15,19H,2-3,5-6,8-9,11-12H2,1H3
InChIKeySYDBFODPMRDQJO-UHFFFAOYSA-N
XLogP3.21
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol with MolForge

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Related Compounds

1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
CID 79739365
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-methylcyclohexan-1-ol
CID 79739872
4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol
CID 79723752
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-ol
CID 79739276
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79738591
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-propylpiperidin-4-ol
CID 79739783
1-(5,6,7,8-tetrahydroquinolin-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79723609
8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline
CID 116540409
2-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
CID 106873740
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 105009645
N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007360
3,5-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine
CID 79745397

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol?
The IUPAC name of 2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol (CID 79746070) is 2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol.
What is the SMILES notation for 2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol?
The canonical SMILES for 2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol is CCCC1CC(O)(C2CCCc3cccnc32)CCO1.
What is the InChIKey of 2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol?
The InChIKey is SYDBFODPMRDQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-5-14-12-17(19,9-11-20-14)15-8-3-6-13-7-4-10-18-16(13)15/h4,7,10,14-15,19H,2-3,5-6,8-9,11-12H2,1H3.
What are the key properties of 2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol?
2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol has a molecular weight of 275.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol is sourced from PubChem (CID 79746070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).