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

C13H13F3N2 — CID 63232523

IUPAC5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine
SMILESCCCNc1nc2cc(F)c(F)c(F)c2cc1C
InChIInChI=1S/C13H13F3N2/c1-3-4-17-13-7(2)5-8-10(18-13)6-9(14)12(16)11(8)15/h5-6H,3-4H2,1-2H3,(H,17,18)
InChIKeyMYDYHWNONKSMDY-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.78
Rot. Bonds3

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

5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine (PubChem CID 63232523) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine.

Molecular Properties

Compound Name5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine
PubChem CID63232523
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine
SMILESCCCNc1nc2cc(F)c(F)c(F)c2cc1C
InChIInChI=1S/C13H13F3N2/c1-3-4-17-13-7(2)5-8-10(18-13)6-9(14)12(16)11(8)15/h5-6H,3-4H2,1-2H3,(H,17,18)
InChIKeyMYDYHWNONKSMDY-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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

3,5,7-trimethyl-N-propylquinolin-2-amine
CID 55224112
6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine
CID 103997014
5,6,7-trimethoxy-3-methyl-N-propylquinolin-2-amine
CID 63231688
3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine
CID 63232484
5,6,7-trifluoro-3-methylquinolin-2-amine
CID 63232439
6-fluoro-3,8-dimethyl-N-propylquinolin-2-amine
CID 63232719
7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine
CID 112674490
6-fluoro-7-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 103996222
3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine
CID 103587511
5,8-dichloro-3,6-dimethyl-N-propylquinolin-2-amine
CID 104728365
3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine
CID 63523674
5,6,7-trifluoro-3-propylquinolin-2-amine
CID 63232437

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine?
The IUPAC name of 5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine (CID 63232523) is 5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine.
What is the SMILES notation for 5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine?
The canonical SMILES for 5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine is CCCNc1nc2cc(F)c(F)c(F)c2cc1C.
What is the InChIKey of 5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine?
The InChIKey is MYDYHWNONKSMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-3-4-17-13-7(2)5-8-10(18-13)6-9(14)12(16)11(8)15/h5-6H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine?
5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine has a molecular weight of 254.25 g/mol, XLogP of 3.78, 3 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-methyl-N-propylquinolin-2-amine is sourced from PubChem (CID 63232523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).