5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine

C14H15F3N2 — CID 63482944

IUPAC5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2c(F)c(F)cc(F)c12
InChIInChI=1S/C14H15F3N2/c1-4-5-18-13-7(2)8(3)19-14-11(13)9(15)6-10(16)12(14)17/h6H,4-5H2,1-3H3,(H,18,19)
InChIKeyOMQZJAMWYXOGKP-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.09
Rot. Bonds3

About 5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine

5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine (PubChem CID 63482944) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine
PubChem CID63482944
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2c(F)c(F)cc(F)c12
InChIInChI=1S/C14H15F3N2/c1-4-5-18-13-7(2)8(3)19-14-11(13)9(15)6-10(16)12(14)17/h6H,4-5H2,1-3H3,(H,18,19)
InChIKeyOMQZJAMWYXOGKP-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.09
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

5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine
CID 103587346
2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
CID 63562434
8-chloro-2,3,5-trimethyl-N-propylquinolin-4-amine
CID 107628672
8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine
CID 114260950
8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107629002
(5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine
CID 62809377
6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine
CID 103996873
8-fluoro-2,6-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63479938
4-chloro-3-ethyl-5,7,8-trifluoro-2-methylquinoline
CID 62814106
6-chloro-2,3,8-trimethyl-N-propylquinolin-4-amine
CID 63481134
N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine
CID 62197895
5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
CID 107594008

Frequently Asked Questions

What is the IUPAC name of 5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine?
The IUPAC name of 5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine (CID 63482944) is 5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine.
What is the SMILES notation for 5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine?
The canonical SMILES for 5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine is CCCNc1c(C)c(C)nc2c(F)c(F)cc(F)c12.
What is the InChIKey of 5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine?
The InChIKey is OMQZJAMWYXOGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-4-5-18-13-7(2)8(3)19-14-11(13)9(15)6-10(16)12(14)17/h6H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine?
5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine has a molecular weight of 268.28 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine is sourced from PubChem (CID 63482944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).