6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one

C13H14FN3O — CID 66888649

IUPAC6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one
SMILESO=c1ccc2cc(F)c(NC3CCNC3)cc2[nH]1
InChIInChI=1S/C13H14FN3O/c14-10-5-8-1-2-13(18)17-11(8)6-12(10)16-9-3-4-15-7-9/h1-2,5-6,9,15-16H,3-4,7H2,(H,17,18)
InChIKeyJVGYSQHCZBQMOR-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.44
Rot. Bonds2

About 6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one

6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one (PubChem CID 66888649) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one
PubChem CID66888649
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one
SMILESO=c1ccc2cc(F)c(NC3CCNC3)cc2[nH]1
InChIInChI=1S/C13H14FN3O/c14-10-5-8-1-2-13(18)17-11(8)6-12(10)16-9-3-4-15-7-9/h1-2,5-6,9,15-16H,3-4,7H2,(H,17,18)
InChIKeyJVGYSQHCZBQMOR-UHFFFAOYSA-N
XLogP1.44
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one (CID 66888649) is 6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one is O=c1ccc2cc(F)c(NC3CCNC3)cc2[nH]1.
What is the InChIKey of 6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one?
The InChIKey is JVGYSQHCZBQMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-10-5-8-1-2-13(18)17-11(8)6-12(10)16-9-3-4-15-7-9/h1-2,5-6,9,15-16H,3-4,7H2,(H,17,18).
What are the key properties of 6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one?
6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one has a molecular weight of 247.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one is sourced from PubChem (CID 66888649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).