N,2-diethyl-5,7,8-trifluoroquinolin-4-amine

C13H13F3N2 — CID 62813629

IUPACN,2-diethyl-5,7,8-trifluoroquinolin-4-amine
SMILESCCNc1cc(CC)nc2c(F)c(F)cc(F)c12
InChIInChI=1S/C13H13F3N2/c1-3-7-5-10(17-4-2)11-8(14)6-9(15)12(16)13(11)18-7/h5-6H,3-4H2,1-2H3,(H,17,18)
InChIKeyXBAJSVVKLDGIAW-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.65
Rot. Bonds3

About N,2-diethyl-5,7,8-trifluoroquinolin-4-amine

N,2-diethyl-5,7,8-trifluoroquinolin-4-amine (PubChem CID 62813629) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N,2-diethyl-5,7,8-trifluoroquinolin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-5,7,8-trifluoroquinolin-4-amine
PubChem CID62813629
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC NameN,2-diethyl-5,7,8-trifluoroquinolin-4-amine
SMILESCCNc1cc(CC)nc2c(F)c(F)cc(F)c12
InChIInChI=1S/C13H13F3N2/c1-3-7-5-10(17-4-2)11-8(14)6-9(15)12(16)13(11)18-7/h5-6H,3-4H2,1-2H3,(H,17,18)
InChIKeyXBAJSVVKLDGIAW-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine
CID 63482403
5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine
CID 107594027
5,7,8-trifluoro-2-propylquinolin-4-amine
CID 62812591
5,8-dichloro-N,2-diethylquinolin-4-amine
CID 63480217
2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 62893164
5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine
CID 102854999
N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine
CID 103587375
2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 63484388
8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine
CID 63479104
8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine
CID 107531263
6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine
CID 103996830
N,2-diethyl-6,8-dimethylquinolin-4-amine
CID 63480218

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5,7,8-trifluoroquinolin-4-amine?
The IUPAC name of N,2-diethyl-5,7,8-trifluoroquinolin-4-amine (CID 62813629) is N,2-diethyl-5,7,8-trifluoroquinolin-4-amine.
What is the SMILES notation for N,2-diethyl-5,7,8-trifluoroquinolin-4-amine?
The canonical SMILES for N,2-diethyl-5,7,8-trifluoroquinolin-4-amine is CCNc1cc(CC)nc2c(F)c(F)cc(F)c12.
What is the InChIKey of N,2-diethyl-5,7,8-trifluoroquinolin-4-amine?
The InChIKey is XBAJSVVKLDGIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-3-7-5-10(17-4-2)11-8(14)6-9(15)12(16)13(11)18-7/h5-6H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N,2-diethyl-5,7,8-trifluoroquinolin-4-amine?
N,2-diethyl-5,7,8-trifluoroquinolin-4-amine has a molecular weight of 254.25 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5,7,8-trifluoroquinolin-4-amine is sourced from PubChem (CID 62813629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).