5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine

C13H14ClFN2 — CID 107370526

IUPAC5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine
SMILESCC(C)Cc1cc(N)c2c(Cl)cc(F)cc2n1
InChIInChI=1S/C13H14ClFN2/c1-7(2)3-9-6-11(16)13-10(14)4-8(15)5-12(13)17-9/h4-7H,3H2,1-2H3,(H2,16,17)
InChIKeyRVGRAVSFYSDSCI-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.81
Rot. Bonds2

About 5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine

5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine (PubChem CID 107370526) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine.

Molecular Properties

Compound Name5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine
PubChem CID107370526
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine
SMILESCC(C)Cc1cc(N)c2c(Cl)cc(F)cc2n1
InChIInChI=1S/C13H14ClFN2/c1-7(2)3-9-6-11(16)13-10(14)4-8(15)5-12(13)17-9/h4-7H,3H2,1-2H3,(H2,16,17)
InChIKeyRVGRAVSFYSDSCI-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine?
The IUPAC name of 5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine (CID 107370526) is 5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine.
What is the SMILES notation for 5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine?
The canonical SMILES for 5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine is CC(C)Cc1cc(N)c2c(Cl)cc(F)cc2n1.
What is the InChIKey of 5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine?
The InChIKey is RVGRAVSFYSDSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c1-7(2)3-9-6-11(16)13-10(14)4-8(15)5-12(13)17-9/h4-7H,3H2,1-2H3,(H2,16,17).
What are the key properties of 5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine?
5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine has a molecular weight of 252.72 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-2-(2-methylpropyl)quinolin-4-amine is sourced from PubChem (CID 107370526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).