7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one

C23H20N2O4 — CID 22720384

IUPAC7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)c1c2n(c3ccccc13)CCNCC2
InChIInChI=1S/C23H20N2O4/c26-20(14-28-16-7-5-15-6-8-22(27)29-21(15)13-16)23-17-3-1-2-4-18(17)25-12-11-24-10-9-19(23)25/h1-8,13,24H,9-12,14H2
InChIKeyZEVVYSGOLHAUDR-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.16
Rot. Bonds4

About 7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one

7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one (PubChem CID 22720384) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one
PubChem CID22720384
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)c1c2n(c3ccccc13)CCNCC2
InChIInChI=1S/C23H20N2O4/c26-20(14-28-16-7-5-15-6-8-22(27)29-21(15)13-16)23-17-3-1-2-4-18(17)25-12-11-24-10-9-19(23)25/h1-8,13,24H,9-12,14H2
InChIKeyZEVVYSGOLHAUDR-UHFFFAOYSA-N
XLogP3.16
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-nitrophenoxy)-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone
CID 22720807
2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447724
2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone
CID 22720356
7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292760
2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yloxy)-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone
CID 22720332
7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one
CID 120994735
7-[2-[2-(difluoromethoxy)phenyl]-2-oxoethoxy]chromen-2-one
CID 134025264
4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
CID 2705042
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide
CID 46562426
2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride
CID 119427483
7-(piperidin-4-ylmethoxy)chromen-2-one
CID 26191137

Frequently Asked Questions

What is the IUPAC name of 7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one?
The IUPAC name of 7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one (CID 22720384) is 7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one?
The canonical SMILES for 7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one is O=C(COc1ccc2ccc(=O)oc2c1)c1c2n(c3ccccc13)CCNCC2.
What is the InChIKey of 7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one?
The InChIKey is ZEVVYSGOLHAUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-20(14-28-16-7-5-15-6-8-22(27)29-21(15)13-16)23-17-3-1-2-4-18(17)25-12-11-24-10-9-19(23)25/h1-8,13,24H,9-12,14H2.
What are the key properties of 7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one?
7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one has a molecular weight of 388.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one is sourced from PubChem (CID 22720384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).