5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine

C13H14F2N2 — CID 63232025

IUPAC5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine
SMILESCNc1nc2cc(F)cc(F)c2cc1C(C)C
InChIInChI=1S/C13H14F2N2/c1-7(2)9-6-10-11(15)4-8(14)5-12(10)17-13(9)16-3/h4-7H,1-3H3,(H,16,17)
InChIKeyMSNWSCSTYCBHRA-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.68
Rot. Bonds2

About 5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine

5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine (PubChem CID 63232025) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine
PubChem CID63232025
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine
SMILESCNc1nc2cc(F)cc(F)c2cc1C(C)C
InChIInChI=1S/C13H14F2N2/c1-7(2)9-6-10-11(15)4-8(14)5-12(10)17-13(9)16-3/h4-7H,1-3H3,(H,16,17)
InChIKeyMSNWSCSTYCBHRA-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine (CID 63232025) is 5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine is CNc1nc2cc(F)cc(F)c2cc1C(C)C.
What is the InChIKey of 5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine?
The InChIKey is MSNWSCSTYCBHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-7(2)9-6-10-11(15)4-8(14)5-12(10)17-13(9)16-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of 5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine?
5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine has a molecular weight of 236.26 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63232025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).