5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol

C14H18N2O2 — CID 26258

IUPAC5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol
SMILESCC(C)NCC(O)c1ccc(O)c2ncccc12
InChIInChI=1S/C14H18N2O2/c1-9(2)16-8-13(18)10-5-6-12(17)14-11(10)4-3-7-15-14/h3-7,9,13,16-18H,8H2,1-2H3
InChIKeyRSDQHEMTUCMUPQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.97
Rot. Bonds4

About 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol

5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol (PubChem CID 26258) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol
PubChem CID26258
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol
SMILESCC(C)NCC(O)c1ccc(O)c2ncccc12
InChIInChI=1S/C14H18N2O2/c1-9(2)16-8-13(18)10-5-6-12(17)14-11(10)4-3-7-15-14/h3-7,9,13,16-18H,8H2,1-2H3
InChIKeyRSDQHEMTUCMUPQ-UHFFFAOYSA-N
XLogP1.97
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol?
The IUPAC name of 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol (CID 26258) is 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol.
What is the SMILES notation for 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol?
The canonical SMILES for 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol is CC(C)NCC(O)c1ccc(O)c2ncccc12.
What is the InChIKey of 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol?
The InChIKey is RSDQHEMTUCMUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)16-8-13(18)10-5-6-12(17)14-11(10)4-3-7-15-14/h3-7,9,13,16-18H,8H2,1-2H3.
What are the key properties of 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol?
5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol has a molecular weight of 246.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol is sourced from PubChem (CID 26258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).