2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol

C19H29N3O2 — CID 46988044

IUPAC2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol
SMILESCCc1ccc2nc(NCCCN(CCO)CCO)cc(C)c2c1
InChIInChI=1S/C19H29N3O2/c1-3-16-5-6-18-17(14-16)15(2)13-19(21-18)20-7-4-8-22(9-11-23)10-12-24/h5-6,13-14,23-24H,3-4,7-12H2,1-2H3,(H,20,21)
InChIKeyRYKZIULFRKYKLN-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.19
Rot. Bonds10

About 2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol

2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 46988044) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol
PubChem CID46988044
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol
SMILESCCc1ccc2nc(NCCCN(CCO)CCO)cc(C)c2c1
InChIInChI=1S/C19H29N3O2/c1-3-16-5-6-18-17(14-16)15(2)13-19(21-18)20-7-4-8-22(9-11-23)10-12-24/h5-6,13-14,23-24H,3-4,7-12H2,1-2H3,(H,20,21)
InChIKeyRYKZIULFRKYKLN-UHFFFAOYSA-N
XLogP2.19
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.19
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-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol (CID 46988044) is 2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol is CCc1ccc2nc(NCCCN(CCO)CCO)cc(C)c2c1.
What is the InChIKey of 2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is RYKZIULFRKYKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-16-5-6-18-17(14-16)15(2)13-19(21-18)20-7-4-8-22(9-11-23)10-12-24/h5-6,13-14,23-24H,3-4,7-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol?
2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 331.46 g/mol, XLogP of 2.19, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-ethyl-4-methylquinolin-2-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 46988044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).