6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one

C22H20F2N4O3 — CID 154994942

IUPAC6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one
SMILESO=C(c1cnc2c(c1)OCCN2c1ccc2c(=O)[nH]ccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C22H20F2N4O3/c23-22(24)4-7-27(8-5-22)21(30)15-12-18-19(26-13-15)28(9-10-31-18)16-1-2-17-14(11-16)3-6-25-20(17)29/h1-3,6,11-13H,4-5,7-10H2,(H,25,29)
InChIKeyYQUSMOGANAGMKB-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.32
Rot. Bonds2

About 6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one

6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one (PubChem CID 154994942) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is 6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one
PubChem CID154994942
Molecular FormulaC22H20F2N4O3
Molecular Weight426.42 g/mol
Exact Mass426.15
IUPAC Name6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one
SMILESO=C(c1cnc2c(c1)OCCN2c1ccc2c(=O)[nH]ccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C22H20F2N4O3/c23-22(24)4-7-27(8-5-22)21(30)15-12-18-19(26-13-15)28(9-10-31-18)16-1-2-17-14(11-16)3-6-25-20(17)29/h1-3,6,11-13H,4-5,7-10H2,(H,25,29)
InChIKeyYQUSMOGANAGMKB-UHFFFAOYSA-N
XLogP3.32
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one?
The IUPAC name of 6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one (CID 154994942) is 6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one?
The canonical SMILES for 6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one is O=C(c1cnc2c(c1)OCCN2c1ccc2c(=O)[nH]ccc2c1)N1CCC(F)(F)CC1.
What is the InChIKey of 6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one?
The InChIKey is YQUSMOGANAGMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c23-22(24)4-7-27(8-5-22)21(30)15-12-18-19(26-13-15)28(9-10-31-18)16-1-2-17-14(11-16)3-6-25-20(17)29/h1-3,6,11-13H,4-5,7-10H2,(H,25,29).
What are the key properties of 6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one?
6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one has a molecular weight of 426.42 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one is sourced from PubChem (CID 154994942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).