5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine

C15H16ClF3N2 — CID 63743734

IUPAC5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1c(C)c(C(F)(F)F)nc2c(C)ccc(Cl)c12
InChIInChI=1S/C15H16ClF3N2/c1-4-7-20-13-9(3)14(15(17,18)19)21-12-8(2)5-6-10(16)11(12)13/h5-6H,4,7H2,1-3H3,(H,20,21)
InChIKeyVPNDGMOLEOUGTO-UHFFFAOYSA-N
MW316.75 g/mol
LogP5.35
Rot. Bonds3

About 5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine

5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 63743734) has the molecular formula C15H16ClF3N2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID63743734
Molecular FormulaC15H16ClF3N2
Molecular Weight316.75 g/mol
Exact Mass316.10
IUPAC Name5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1c(C)c(C(F)(F)F)nc2c(C)ccc(Cl)c12
InChIInChI=1S/C15H16ClF3N2/c1-4-7-20-13-9(3)14(15(17,18)19)21-12-8(2)5-6-10(16)11(12)13/h5-6H,4,7H2,1-3H3,(H,20,21)
InChIKeyVPNDGMOLEOUGTO-UHFFFAOYSA-N
XLogP5.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.75
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744425
7-fluoro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744759
5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 55230313
8-chloro-2,3,5-trimethyl-N-propylquinolin-4-amine
CID 107628672
N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 55231276
8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743224
5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743220
[5-fluoro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 63744433
8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine
CID 114260950
6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744755
N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743908
5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 55196144

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine (CID 63743734) is 5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine is CCCNc1c(C)c(C(F)(F)F)nc2c(C)ccc(Cl)c12.
What is the InChIKey of 5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is VPNDGMOLEOUGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2/c1-4-7-20-13-9(3)14(15(17,18)19)21-12-8(2)5-6-10(16)11(12)13/h5-6H,4,7H2,1-3H3,(H,20,21).
What are the key properties of 5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 316.75 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 63743734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).