5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one

C19H17N3O2 — CID 25017194

IUPAC5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one
SMILESCN(C)c1cccc(C2=NCC(=O)Nc3c2oc2ccccc32)c1
InChIInChI=1S/C19H17N3O2/c1-22(2)13-7-5-6-12(10-13)17-19-18(21-16(23)11-20-17)14-8-3-4-9-15(14)24-19/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyNOXNPQLQJBRNJF-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.29
Rot. Bonds2

About 5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one

5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one (PubChem CID 25017194) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one
PubChem CID25017194
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one
SMILESCN(C)c1cccc(C2=NCC(=O)Nc3c2oc2ccccc32)c1
InChIInChI=1S/C19H17N3O2/c1-22(2)13-7-5-6-12(10-13)17-19-18(21-16(23)11-20-17)14-8-3-4-9-15(14)24-19/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyNOXNPQLQJBRNJF-UHFFFAOYSA-N
XLogP3.29
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170400196
3-(3-methyl-1-benzofuran-2-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 170526399
N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 155041103
N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide
CID 118141615
N-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170400225
N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170400224
3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
CID 164765204
4-(dimethylamino)-3-phenylchromen-2-one
CID 141378556
N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 170400913
ethyl 2-oxo-5-(3-phenoxyphenyl)-1,3-dihydro-[1,4]diazepino[6,5-b]indole-6-carboxylate
CID 118141619
3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 43329184
3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline
CID 154627943

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one?
The IUPAC name of 5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one (CID 25017194) is 5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one.
What is the SMILES notation for 5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one?
The canonical SMILES for 5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one is CN(C)c1cccc(C2=NCC(=O)Nc3c2oc2ccccc32)c1.
What is the InChIKey of 5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one?
The InChIKey is NOXNPQLQJBRNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-22(2)13-7-5-6-12(10-13)17-19-18(21-16(23)11-20-17)14-8-3-4-9-15(14)24-19/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one?
5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)phenyl]-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one is sourced from PubChem (CID 25017194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).