3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide

C13H13F2N3O — CID 18994581

IUPAC3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide
SMILESCN(CCC(N)=O)c1ccc2cc(F)c(F)cc2n1
InChIInChI=1S/C13H13F2N3O/c1-18(5-4-12(16)19)13-3-2-8-6-9(14)10(15)7-11(8)17-13/h2-3,6-7H,4-5H2,1H3,(H2,16,19)
InChIKeyFLVLZLIXAFBWQT-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.82
Rot. Bonds4

About 3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide

3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide (PubChem CID 18994581) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide.

Molecular Properties

Compound Name3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide
PubChem CID18994581
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide
SMILESCN(CCC(N)=O)c1ccc2cc(F)c(F)cc2n1
InChIInChI=1S/C13H13F2N3O/c1-18(5-4-12(16)19)13-3-2-8-6-9(14)10(15)7-11(8)17-13/h2-3,6-7H,4-5H2,1H3,(H2,16,19)
InChIKeyFLVLZLIXAFBWQT-UHFFFAOYSA-N
XLogP1.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide?
The IUPAC name of 3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide (CID 18994581) is 3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide.
What is the SMILES notation for 3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide?
The canonical SMILES for 3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide is CN(CCC(N)=O)c1ccc2cc(F)c(F)cc2n1.
What is the InChIKey of 3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide?
The InChIKey is FLVLZLIXAFBWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-18(5-4-12(16)19)13-3-2-8-6-9(14)10(15)7-11(8)17-13/h2-3,6-7H,4-5H2,1H3,(H2,16,19).
What are the key properties of 3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide?
3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide has a molecular weight of 265.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide is sourced from PubChem (CID 18994581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).