10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one

C16H19N3O2 — CID 146188997

IUPAC10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one
SMILESCC1Nc2c(c(=O)n(C)c3ccc(N)cc23)OCC12CC2
InChIInChI=1S/C16H19N3O2/c1-9-16(5-6-16)8-21-14-13(18-9)11-7-10(17)3-4-12(11)19(2)15(14)20/h3-4,7,9,18H,5-6,8,17H2,1-2H3
InChIKeyFIYOBAVRRIZZHT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.09
Rot. Bonds

About 10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one

10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one (PubChem CID 146188997) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one.

Molecular Properties

Compound Name10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one
PubChem CID146188997
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one
SMILESCC1Nc2c(c(=O)n(C)c3ccc(N)cc23)OCC12CC2
InChIInChI=1S/C16H19N3O2/c1-9-16(5-6-16)8-21-14-13(18-9)11-7-10(17)3-4-12(11)19(2)15(14)20/h3-4,7,9,18H,5-6,8,17H2,1-2H3
InChIKeyFIYOBAVRRIZZHT-UHFFFAOYSA-N
XLogP2.09
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one?
The IUPAC name of 10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one (CID 146188997) is 10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one.
What is the SMILES notation for 10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one?
The canonical SMILES for 10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one is CC1Nc2c(c(=O)n(C)c3ccc(N)cc23)OCC12CC2.
What is the InChIKey of 10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one?
The InChIKey is FIYOBAVRRIZZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9-16(5-6-16)8-21-14-13(18-9)11-7-10(17)3-4-12(11)19(2)15(14)20/h3-4,7,9,18H,5-6,8,17H2,1-2H3.
What are the key properties of 10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one?
10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one has a molecular weight of 285.35 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one is sourced from PubChem (CID 146188997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).