6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C14H17FN2O2 — CID 43457656

IUPAC6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNC(c1cc2c(cc1F)NC(=O)CC2)C1CCCO1
InChIInChI=1S/C14H17FN2O2/c15-10-7-11-8(3-4-13(18)17-11)6-9(10)14(16)12-2-1-5-19-12/h6-7,12,14H,1-5,16H2,(H,17,18)
InChIKeyIREOAEFYHQIYJP-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.89
Rot. Bonds2

About 6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43457656) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID43457656
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNC(c1cc2c(cc1F)NC(=O)CC2)C1CCCO1
InChIInChI=1S/C14H17FN2O2/c15-10-7-11-8(3-4-13(18)17-11)6-9(10)14(16)12-2-1-5-19-12/h6-7,12,14H,1-5,16H2,(H,17,18)
InChIKeyIREOAEFYHQIYJP-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 43457656) is 6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is NC(c1cc2c(cc1F)NC(=O)CC2)C1CCCO1.
What is the InChIKey of 6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IREOAEFYHQIYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-10-7-11-8(3-4-13(18)17-11)6-9(10)14(16)12-2-1-5-19-12/h6-7,12,14H,1-5,16H2,(H,17,18).
What are the key properties of 6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 264.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43457656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).