7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one

C15H17FN2O — CID 4281131

IUPAC7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(N3CCCCCC3)c(F)cc12
InChIInChI=1S/C15H17FN2O/c16-12-9-11-13(17-6-5-15(11)19)10-14(12)18-7-3-1-2-4-8-18/h5-6,9-10H,1-4,7-8H2,(H,17,19)
InChIKeyFPQOIKSKQHQYMO-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.05
Rot. Bonds1

About 7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one

7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one (PubChem CID 4281131) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one
PubChem CID4281131
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(N3CCCCCC3)c(F)cc12
InChIInChI=1S/C15H17FN2O/c16-12-9-11-13(17-6-5-15(11)19)10-14(12)18-7-3-1-2-4-8-18/h5-6,9-10H,1-4,7-8H2,(H,17,19)
InChIKeyFPQOIKSKQHQYMO-UHFFFAOYSA-N
XLogP3.05
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one?
The IUPAC name of 7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one (CID 4281131) is 7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one?
The canonical SMILES for 7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one is O=c1cc[nH]c2cc(N3CCCCCC3)c(F)cc12.
What is the InChIKey of 7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one?
The InChIKey is FPQOIKSKQHQYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c16-12-9-11-13(17-6-5-15(11)19)10-14(12)18-7-3-1-2-4-8-18/h5-6,9-10H,1-4,7-8H2,(H,17,19).
What are the key properties of 7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one?
7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one has a molecular weight of 260.31 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azepan-1-yl)-6-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 4281131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).