6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one

C25H27FN4O3 — CID 166886954

IUPAC6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one
SMILESCCC1(F)CCN(C(=O)c2cnc3c(c2)OCCN3c2ccc3c(=O)n(C)ccc3c2)CC1
InChIInChI=1S/C25H27FN4O3/c1-3-25(26)7-10-29(11-8-25)23(31)18-15-21-22(27-16-18)30(12-13-33-21)19-4-5-20-17(14-19)6-9-28(2)24(20)32/h4-6,9,14-16H,3,7-8,10-13H2,1-2H3
InChIKeyFQBUBSFFQCQREK-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.82
Rot. Bonds3

About 6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one

6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one (PubChem CID 166886954) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is 6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one
PubChem CID166886954
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one
SMILESCCC1(F)CCN(C(=O)c2cnc3c(c2)OCCN3c2ccc3c(=O)n(C)ccc3c2)CC1
InChIInChI=1S/C25H27FN4O3/c1-3-25(26)7-10-29(11-8-25)23(31)18-15-21-22(27-16-18)30(12-13-33-21)19-4-5-20-17(14-19)6-9-28(2)24(20)32/h4-6,9,14-16H,3,7-8,10-13H2,1-2H3
InChIKeyFQBUBSFFQCQREK-UHFFFAOYSA-N
XLogP3.82
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one with MolForge

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Related Compounds

5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one
CID 166886553
5-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydroisoindol-1-one
CID 154995296
7-[7-(3,3-difluoroazetidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 154995256
[4-(4-fluorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]-piperidin-1-ylmethanone
CID 154994839
7-[7-(4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 154994598
7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one
CID 167390374
7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 166887315
N,1-dimethyl-6-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]indole-2-carboxamide
CID 167390570
2-methyl-7-[7-(1-oxa-8-azaspiro[3.5]nonane-8-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 163994630
2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 154994898
3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde
CID 154994400
2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
CID 166886962

Frequently Asked Questions

What is the IUPAC name of 6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one?
The IUPAC name of 6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one (CID 166886954) is 6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one.
What is the SMILES notation for 6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one?
The canonical SMILES for 6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one is CCC1(F)CCN(C(=O)c2cnc3c(c2)OCCN3c2ccc3c(=O)n(C)ccc3c2)CC1.
What is the InChIKey of 6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one?
The InChIKey is FQBUBSFFQCQREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-3-25(26)7-10-29(11-8-25)23(31)18-15-21-22(27-16-18)30(12-13-33-21)19-4-5-20-17(14-19)6-9-28(2)24(20)32/h4-6,9,14-16H,3,7-8,10-13H2,1-2H3.
What are the key properties of 6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one?
6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one has a molecular weight of 450.51 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one is sourced from PubChem (CID 166886954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).