2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol

C16H23NO — CID 165476679

IUPAC2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCCc1ccc2c(c1)CC(O)C(C1CCCC1)N2
InChIInChI=1S/C16H23NO/c1-2-11-7-8-14-13(9-11)10-15(18)16(17-14)12-5-3-4-6-12/h7-9,12,15-18H,2-6,10H2,1H3
InChIKeyBMQZWZGGDTYZRC-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.14
Rot. Bonds2

About 2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol

2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 165476679) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID165476679
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCCc1ccc2c(c1)CC(O)C(C1CCCC1)N2
InChIInChI=1S/C16H23NO/c1-2-11-7-8-14-13(9-11)10-15(18)16(17-14)12-5-3-4-6-12/h7-9,12,15-18H,2-6,10H2,1H3
InChIKeyBMQZWZGGDTYZRC-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of 2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol (CID 165476679) is 2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for 2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for 2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol is CCc1ccc2c(c1)CC(O)C(C1CCCC1)N2.
What is the InChIKey of 2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is BMQZWZGGDTYZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-11-7-8-14-13(9-11)10-15(18)16(17-14)12-5-3-4-6-12/h7-9,12,15-18H,2-6,10H2,1H3.
What are the key properties of 2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol?
2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 245.37 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 165476679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).