10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one

C13H13F2N3O2 — CID 146189156

IUPAC10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one
SMILESCn1c(=O)c2c(c3cc(N)ccc31)NCC(F)(F)CO2
InChIInChI=1S/C13H13F2N3O2/c1-18-9-3-2-7(16)4-8(9)10-11(12(18)19)20-6-13(14,15)5-17-10/h2-4,17H,5-6,16H2,1H3
InChIKeySIANAXLULMLRBN-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.56
Rot. Bonds

About 10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one

10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one (PubChem CID 146189156) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one
PubChem CID146189156
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one
SMILESCn1c(=O)c2c(c3cc(N)ccc31)NCC(F)(F)CO2
InChIInChI=1S/C13H13F2N3O2/c1-18-9-3-2-7(16)4-8(9)10-11(12(18)19)20-6-13(14,15)5-17-10/h2-4,17H,5-6,16H2,1H3
InChIKeySIANAXLULMLRBN-UHFFFAOYSA-N
XLogP1.56
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-{[2-oxo-4-(trifluoromethyl)-1,2-dihydroquinolin-6-yl](2,2,2-trifluoroethyl)amino}acetate
CID 23648057
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18112790
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24983022
4-Amino-3-methoxyquinolin-2-ol
CID 3237852
2-ethoxy-N-(8-fluoro-2-oxo-1H-quinolin-6-yl)acetamide
CID 46383019
2-methoxy-N-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]acetamide
CID 53565845
4-(4-Amino-2-methylphenyl)morpholin-3-one
CID 23105288
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
CID 8051675
N-{[2-(Dimethylamino)-5-(2-methoxyacetamido)phenyl]methyl}-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
CID 8057587
N-{[2-(Dimethylamino)-5-(2-methoxyacetamido)phenyl]methyl}-N-[(3-fluorophenyl)methyl]propanamide
CID 8057791
N-[4-(dimethylamino)-3-[[(4-fluorophenyl)methyl-(2-methoxyacetyl)amino]methyl]phenyl]propanamide
CID 8058362
2-[(4-hydroxy-2-methylpyridin-3-yl)oxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 49655243

Frequently Asked Questions

What is the IUPAC name of 10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one?
The IUPAC name of 10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one (CID 146189156) is 10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one.
What is the SMILES notation for 10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one?
The canonical SMILES for 10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one is Cn1c(=O)c2c(c3cc(N)ccc31)NCC(F)(F)CO2.
What is the InChIKey of 10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one?
The InChIKey is SIANAXLULMLRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-18-9-3-2-7(16)4-8(9)10-11(12(18)19)20-6-13(14,15)5-17-10/h2-4,17H,5-6,16H2,1H3.
What are the key properties of 10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one?
10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one has a molecular weight of 281.26 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one is sourced from PubChem (CID 146189156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).