N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide

C24H26N2O4 — CID 91158196

IUPACN-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc2nc(Oc3ccc4c(c3)OCC(C)(C)CO4)ccc2c1
InChIInChI=1S/C24H26N2O4/c1-16(27)25-11-10-17-4-7-20-18(12-17)5-9-23(26-20)30-19-6-8-21-22(13-19)29-15-24(2,3)14-28-21/h4-9,12-13H,10-11,14-15H2,1-3H3,(H,25,27)
InChIKeyOQBOPTFYLVWQEK-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.50
Rot. Bonds5

About N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide

N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide (PubChem CID 91158196) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide
PubChem CID91158196
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc2nc(Oc3ccc4c(c3)OCC(C)(C)CO4)ccc2c1
InChIInChI=1S/C24H26N2O4/c1-16(27)25-11-10-17-4-7-20-18(12-17)5-9-23(26-20)30-19-6-8-21-22(13-19)29-15-24(2,3)14-28-21/h4-9,12-13H,10-11,14-15H2,1-3H3,(H,25,27)
InChIKeyOQBOPTFYLVWQEK-UHFFFAOYSA-N
XLogP4.50
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 68793938
N-[2-[2-[[6-(propan-2-ylamino)-3-pyridinyl]oxy]quinolin-6-yl]ethyl]acetamide
CID 68761074
N-[2-[2-(3-methyl-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68763349
N-[2-[2-(2,3-dimethyl-4-propan-2-ylsulfanylphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68759886
N-[2-[6-[4-(cyclopropylmethoxy)phenoxy]naphthalen-2-yl]ethyl]acetamide
CID 68760132
N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide
CID 68759948
6-(1,3-benzodioxol-5-yloxy)-2-methylpyridine-3-carbaldehyde
CID 86611552
methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate
CID 24755552
3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 167944863
N-[2-[6-(2-chloro-4-methoxyphenoxy)quinolin-2-yl]ethyl]acetamide
CID 68762927
1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone
CID 68760579
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide (CID 91158196) is N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide is CC(=O)NCCc1ccc2nc(Oc3ccc4c(c3)OCC(C)(C)CO4)ccc2c1.
What is the InChIKey of N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide?
The InChIKey is OQBOPTFYLVWQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16(27)25-11-10-17-4-7-20-18(12-17)5-9-23(26-20)30-19-6-8-21-22(13-19)29-15-24(2,3)14-28-21/h4-9,12-13H,10-11,14-15H2,1-3H3,(H,25,27).
What are the key properties of N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide?
N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)oxy]quinolin-6-yl]ethyl]acetamide is sourced from PubChem (CID 91158196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).