9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one

C12H10FN3O — CID 54773066

IUPAC9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one
SMILESO=C1NCCNc2c1cnc1cc(F)ccc21
InChIInChI=1S/C12H10FN3O/c13-7-1-2-8-10(5-7)16-6-9-11(8)14-3-4-15-12(9)17/h1-2,5-6,14H,3-4H2,(H,15,17)
InChIKeyRDPFCLSTCMJXSF-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.53
Rot. Bonds

About 9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one

9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one (PubChem CID 54773066) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one.

Molecular Properties

Compound Name9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one
PubChem CID54773066
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one
SMILESO=C1NCCNc2c1cnc1cc(F)ccc21
InChIInChI=1S/C12H10FN3O/c13-7-1-2-8-10(5-7)16-6-9-11(8)14-3-4-15-12(9)17/h1-2,5-6,14H,3-4H2,(H,15,17)
InChIKeyRDPFCLSTCMJXSF-UHFFFAOYSA-N
XLogP1.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one?
The IUPAC name of 9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one (CID 54773066) is 9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one.
What is the SMILES notation for 9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one?
The canonical SMILES for 9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one is O=C1NCCNc2c1cnc1cc(F)ccc21.
What is the InChIKey of 9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one?
The InChIKey is RDPFCLSTCMJXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c13-7-1-2-8-10(5-7)16-6-9-11(8)14-3-4-15-12(9)17/h1-2,5-6,14H,3-4H2,(H,15,17).
What are the key properties of 9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one?
9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one has a molecular weight of 231.23 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one is sourced from PubChem (CID 54773066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).