3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine

C14H15F3N2 — CID 63523674

IUPAC3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(F)c(F)cc(F)c2cc1CC
InChIInChI=1S/C14H15F3N2/c1-3-5-18-14-8(4-2)6-9-10(15)7-11(16)12(17)13(9)19-14/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyPPCNVNGBZUSTDF-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.04
Rot. Bonds4

About 3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine

3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine (PubChem CID 63523674) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine.

Molecular Properties

Compound Name3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine
PubChem CID63523674
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(F)c(F)cc(F)c2cc1CC
InChIInChI=1S/C14H15F3N2/c1-3-5-18-14-8(4-2)6-9-10(15)7-11(16)12(17)13(9)19-14/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyPPCNVNGBZUSTDF-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.04
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

3-ethyl-6,8-difluoro-N-propylquinolin-2-amine
CID 63525418
5,7,8-trifluoro-N-methyl-3-propylquinolin-2-amine
CID 55174798
N-ethyl-5,6,8-trifluoro-3-propylquinolin-2-amine
CID 55223170
3-ethyl-5,8-dimethoxy-N-propylquinolin-2-amine
CID 63524526
5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524202
N,3-diethyl-5,8-difluoro-6-methylquinolin-2-amine
CID 103587507
3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine
CID 103587513
5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine
CID 63524550
5-bromo-3-ethyl-8-methoxy-N-propylquinolin-2-amine
CID 63525615
3-ethyl-7-fluoro-N-propylquinolin-2-amine
CID 63232482
8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine
CID 63524176
(3-ethyl-5-fluoro-8-methylquinolin-2-yl)hydrazine
CID 63232655

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine?
The IUPAC name of 3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine (CID 63523674) is 3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine.
What is the SMILES notation for 3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine?
The canonical SMILES for 3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine is CCCNc1nc2c(F)c(F)cc(F)c2cc1CC.
What is the InChIKey of 3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine?
The InChIKey is PPCNVNGBZUSTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-3-5-18-14-8(4-2)6-9-10(15)7-11(16)12(17)13(9)19-14/h6-7H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine?
3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine has a molecular weight of 268.28 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine is sourced from PubChem (CID 63523674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).