2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol

C16H23N3O — CID 133480173

IUPAC2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol
SMILESCCN(CCO)CCNc1ccnc2c(C)cccc12
InChIInChI=1S/C16H23N3O/c1-3-19(11-12-20)10-9-17-15-7-8-18-16-13(2)5-4-6-14(15)16/h4-8,20H,3,9-12H2,1-2H3,(H,17,18)
InChIKeyUPFVRBQZASYBFH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.27
Rot. Bonds7

About 2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol

2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol (PubChem CID 133480173) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol
PubChem CID133480173
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol
SMILESCCN(CCO)CCNc1ccnc2c(C)cccc12
InChIInChI=1S/C16H23N3O/c1-3-19(11-12-20)10-9-17-15-7-8-18-16-13(2)5-4-6-14(15)16/h4-8,20H,3,9-12H2,1-2H3,(H,17,18)
InChIKeyUPFVRBQZASYBFH-UHFFFAOYSA-N
XLogP2.27
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide
CID 133388578
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
CID 20650144
2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol
CID 133388865
8-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133388769
2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol
CID 133480149
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28585667
8-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]quinolin-4-amine
CID 166198008
N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133394459
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine
CID 133369314
8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine
CID 133394536

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol (CID 133480173) is 2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol is CCN(CCO)CCNc1ccnc2c(C)cccc12.
What is the InChIKey of 2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol?
The InChIKey is UPFVRBQZASYBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-19(11-12-20)10-9-17-15-7-8-18-16-13(2)5-4-6-14(15)16/h4-8,20H,3,9-12H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol?
2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol has a molecular weight of 273.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol is sourced from PubChem (CID 133480173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).