2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol

C16H17F6N3O — CID 155554789

IUPAC2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
SMILESNCCCNCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C16H17F6N3O/c17-15(18,19)11-4-1-3-9-10(12(26)8-24-6-2-5-23)7-13(16(20,21)22)25-14(9)11/h1,3-4,7,12,24,26H,2,5-6,8,23H2
InChIKeyKZMXANNHHWLLCK-UHFFFAOYSA-N
MW381.32 g/mol
LogP3.24
Rot. Bonds6

About 2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol

2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol (PubChem CID 155554789) has the molecular formula C16H17F6N3O and a molecular weight of 381.32 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol.

Molecular Properties

Compound Name2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
PubChem CID155554789
Molecular FormulaC16H17F6N3O
Molecular Weight381.32 g/mol
Exact Mass381.13
IUPAC Name2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
SMILESNCCCNCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C16H17F6N3O/c17-15(18,19)11-4-1-3-9-10(12(26)8-24-6-2-5-23)7-13(16(20,21)22)25-14(9)11/h1,3-4,7,12,24,26H,2,5-6,8,23H2
InChIKeyKZMXANNHHWLLCK-UHFFFAOYSA-N
XLogP3.24
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
The IUPAC name of 2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol (CID 155554789) is 2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol.
What is the SMILES notation for 2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
The canonical SMILES for 2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol is NCCCNCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
The InChIKey is KZMXANNHHWLLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F6N3O/c17-15(18,19)11-4-1-3-9-10(12(26)8-24-6-2-5-23)7-13(16(20,21)22)25-14(9)11/h1,3-4,7,12,24,26H,2,5-6,8,23H2.
What are the key properties of 2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol has a molecular weight of 381.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol is sourced from PubChem (CID 155554789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).