2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol

C16H23N3O2 — CID 21424676

IUPAC2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol
SMILESOCCN(CCO)CCCNc1ccc2ccccc2n1
InChIInChI=1S/C16H23N3O2/c20-12-10-19(11-13-21)9-3-8-17-16-7-6-14-4-1-2-5-15(14)18-16/h1-2,4-7,20-21H,3,8-13H2,(H,17,18)
InChIKeyRUKFTDOGGVJHSM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.32
Rot. Bonds9

About 2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol

2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol (PubChem CID 21424676) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol
PubChem CID21424676
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol
SMILESOCCN(CCO)CCCNc1ccc2ccccc2n1
InChIInChI=1S/C16H23N3O2/c20-12-10-19(11-13-21)9-3-8-17-16-7-6-14-4-1-2-5-15(14)18-16/h1-2,4-7,20-21H,3,8-13H2,(H,17,18)
InChIKeyRUKFTDOGGVJHSM-UHFFFAOYSA-N
XLogP1.32
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol (CID 21424676) is 2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol is OCCN(CCO)CCCNc1ccc2ccccc2n1.
What is the InChIKey of 2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol?
The InChIKey is RUKFTDOGGVJHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-12-10-19(11-13-21)9-3-8-17-16-7-6-14-4-1-2-5-15(14)18-16/h1-2,4-7,20-21H,3,8-13H2,(H,17,18).
What are the key properties of 2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol?
2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol has a molecular weight of 289.38 g/mol, XLogP of 1.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol is sourced from PubChem (CID 21424676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).