8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine

C14H14ClF3N2 — CID 63526110

IUPAC8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine
SMILESCNc1nc2c(Cl)ccc(C(F)(F)F)c2cc1C(C)C
InChIInChI=1S/C14H14ClF3N2/c1-7(2)8-6-9-10(14(16,17)18)4-5-11(15)12(9)20-13(8)19-3/h4-7H,1-3H3,(H,19,20)
InChIKeyMYLKUMFZEDPJTA-UHFFFAOYSA-N
MW302.73 g/mol
LogP5.07
Rot. Bonds2

About 8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine

8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine (PubChem CID 63526110) has the molecular formula C14H14ClF3N2 and a molecular weight of 302.73 g/mol. Its IUPAC name is 8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine
PubChem CID63526110
Molecular FormulaC14H14ClF3N2
Molecular Weight302.73 g/mol
Exact Mass302.08
IUPAC Name8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine
SMILESCNc1nc2c(Cl)ccc(C(F)(F)F)c2cc1C(C)C
InChIInChI=1S/C14H14ClF3N2/c1-7(2)8-6-9-10(14(16,17)18)4-5-11(15)12(9)20-13(8)19-3/h4-7H,1-3H3,(H,19,20)
InChIKeyMYLKUMFZEDPJTA-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.73
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of 8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine (CID 63526110) is 8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for 8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for 8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine is CNc1nc2c(Cl)ccc(C(F)(F)F)c2cc1C(C)C.
What is the InChIKey of 8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine?
The InChIKey is MYLKUMFZEDPJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2/c1-7(2)8-6-9-10(14(16,17)18)4-5-11(15)12(9)20-13(8)19-3/h4-7H,1-3H3,(H,19,20).
What are the key properties of 8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine?
8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine has a molecular weight of 302.73 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 63526110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).