10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one

C14H15F2N3O2 — CID 146191457

IUPAC10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one
SMILESCn1c(=O)c2c(c3cc(N)ccc31)NC(C(F)F)CCO2
InChIInChI=1S/C14H15F2N3O2/c1-19-10-3-2-7(17)6-8(10)11-12(14(19)20)21-5-4-9(18-11)13(15)16/h2-3,6,9,13,18H,4-5,17H2,1H3
InChIKeyXISBAZOWFUIEGU-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.95
Rot. Bonds1

About 10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one

10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one (PubChem CID 146191457) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one
PubChem CID146191457
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one
SMILESCn1c(=O)c2c(c3cc(N)ccc31)NC(C(F)F)CCO2
InChIInChI=1S/C14H15F2N3O2/c1-19-10-3-2-7(17)6-8(10)11-12(14(19)20)21-5-4-9(18-11)13(15)16/h2-3,6,9,13,18H,4-5,17H2,1H3
InChIKeyXISBAZOWFUIEGU-UHFFFAOYSA-N
XLogP1.95
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one with MolForge

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Related Compounds

N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18112790
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
2-[(4-hydroxy-2-methylpyridin-3-yl)oxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 49655243
N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 96569045
[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-3-yl] acetate
CID 9798009
6-[2-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 9819305
6-morpholin-4-yl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 9948175
N-(2-Methylphenyl)-3-(trifluoromethyl)-5,6-dihydro-1,4-dioxin-2-carboxamide
CID 10493502
N-(3-Methylphenyl)-3-(trifluoromethyl)-5,6-dihydro-1,4-dioxin-2-carboxamide
CID 10637004
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11718113

Frequently Asked Questions

What is the IUPAC name of 10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one?
The IUPAC name of 10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one (CID 146191457) is 10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one.
What is the SMILES notation for 10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one?
The canonical SMILES for 10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one is Cn1c(=O)c2c(c3cc(N)ccc31)NC(C(F)F)CCO2.
What is the InChIKey of 10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one?
The InChIKey is XISBAZOWFUIEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-19-10-3-2-7(17)6-8(10)11-12(14(19)20)21-5-4-9(18-11)13(15)16/h2-3,6,9,13,18H,4-5,17H2,1H3.
What are the key properties of 10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one?
10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one has a molecular weight of 295.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-2-(difluoromethyl)-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one is sourced from PubChem (CID 146191457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).