2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one

C17H21N3O2 — CID 14097141

IUPAC2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one
SMILESCN(C)CCC1CN(C)C(=O)c2cc3ccccc3nc2O1
InChIInChI=1S/C17H21N3O2/c1-19(2)9-8-13-11-20(3)17(21)14-10-12-6-4-5-7-15(12)18-16(14)22-13/h4-7,10,13H,8-9,11H2,1-3H3
InChIKeyNHSIJNFKRXLXHL-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.02
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one

2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one (PubChem CID 14097141) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one
PubChem CID14097141
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one
SMILESCN(C)CCC1CN(C)C(=O)c2cc3ccccc3nc2O1
InChIInChI=1S/C17H21N3O2/c1-19(2)9-8-13-11-20(3)17(21)14-10-12-6-4-5-7-15(12)18-16(14)22-13/h4-7,10,13H,8-9,11H2,1-3H3
InChIKeyNHSIJNFKRXLXHL-UHFFFAOYSA-N
XLogP2.02
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one (CID 14097141) is 2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one is CN(C)CCC1CN(C)C(=O)c2cc3ccccc3nc2O1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one?
The InChIKey is NHSIJNFKRXLXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19(2)9-8-13-11-20(3)17(21)14-10-12-6-4-5-7-15(12)18-16(14)22-13/h4-7,10,13H,8-9,11H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one?
2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one has a molecular weight of 299.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one is sourced from PubChem (CID 14097141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).