5,6,7-trifluoro-3-propylquinolin-2-amine

C12H11F3N2 — CID 63232437

IUPAC5,6,7-trifluoro-3-propylquinolin-2-amine
SMILESCCCc1cc2c(F)c(F)c(F)cc2nc1N
InChIInChI=1S/C12H11F3N2/c1-2-3-6-4-7-9(17-12(6)16)5-8(13)11(15)10(7)14/h4-5H,2-3H2,1H3,(H2,16,17)
InChIKeyGXUFMXVCBBCMKW-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.19
Rot. Bonds2

About 5,6,7-trifluoro-3-propylquinolin-2-amine

5,6,7-trifluoro-3-propylquinolin-2-amine (PubChem CID 63232437) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 5,6,7-trifluoro-3-propylquinolin-2-amine.

Molecular Properties

Compound Name5,6,7-trifluoro-3-propylquinolin-2-amine
PubChem CID63232437
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name5,6,7-trifluoro-3-propylquinolin-2-amine
SMILESCCCc1cc2c(F)c(F)c(F)cc2nc1N
InChIInChI=1S/C12H11F3N2/c1-2-3-6-4-7-9(17-12(6)16)5-8(13)11(15)10(7)14/h4-5H,2-3H2,1H3,(H2,16,17)
InChIKeyGXUFMXVCBBCMKW-UHFFFAOYSA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5,6,7-trifluoro-3-methylquinolin-2-amine
CID 63232439
3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine
CID 63232484
6,7-dimethyl-3-propylquinolin-2-amine;hydrochloride
CID 43866026
3-ethyl-6,7-difluoroquinolin-2-amine
CID 63232380
5,7,8-trifluoro-N-methyl-3-propylquinolin-2-amine
CID 55174798
5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine
CID 63232523
(5,7-difluoro-3-propylquinolin-2-yl)hydrazine
CID 63232528
2-chloro-5,7-difluoro-3-propylquinoline
CID 63231572
N-ethyl-5,6,8-trifluoro-3-propylquinolin-2-amine
CID 55223170
3-ethyl-7-fluoro-6-methylquinolin-2-amine
CID 112674484
5-benzyl-3-pentylquinolin-2-amine
CID 122192094
5,7,8-trifluoro-2-propylquinolin-4-amine
CID 62812591

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluoro-3-propylquinolin-2-amine?
The IUPAC name of 5,6,7-trifluoro-3-propylquinolin-2-amine (CID 63232437) is 5,6,7-trifluoro-3-propylquinolin-2-amine.
What is the SMILES notation for 5,6,7-trifluoro-3-propylquinolin-2-amine?
The canonical SMILES for 5,6,7-trifluoro-3-propylquinolin-2-amine is CCCc1cc2c(F)c(F)c(F)cc2nc1N.
What is the InChIKey of 5,6,7-trifluoro-3-propylquinolin-2-amine?
The InChIKey is GXUFMXVCBBCMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-2-3-6-4-7-9(17-12(6)16)5-8(13)11(15)10(7)14/h4-5H,2-3H2,1H3,(H2,16,17).
What are the key properties of 5,6,7-trifluoro-3-propylquinolin-2-amine?
5,6,7-trifluoro-3-propylquinolin-2-amine has a molecular weight of 240.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trifluoro-3-propylquinolin-2-amine is sourced from PubChem (CID 63232437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).