6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione

C18H17NO4 — CID 43949881

IUPAC6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1CCOCCO
InChIInChI=1S/C18H17NO4/c20-10-12-23-11-9-19-17(21)15-7-3-1-5-13(15)14-6-2-4-8-16(14)18(19)22/h1-8,20H,9-12H2
InChIKeyUZVMNDPWMIWNPI-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.52
Rot. Bonds5

About 6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione

6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione (PubChem CID 43949881) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione.

Molecular Properties

Compound Name6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione
PubChem CID43949881
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1CCOCCO
InChIInChI=1S/C18H17NO4/c20-10-12-23-11-9-19-17(21)15-7-3-1-5-13(15)14-6-2-4-8-16(14)18(19)22/h1-8,20H,9-12H2
InChIKeyUZVMNDPWMIWNPI-UHFFFAOYSA-N
XLogP1.52
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-propoxyethyl)benzo[d][2]benzazepine-5,7-dione
CID 58822025
bis(2,6-bis[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone);naphthalene-1,5-diamine
CID 139123790
2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione
CID 10853560
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269
9-[2-(2-chloroethoxy)ethyl]carbazole
CID 11807874
2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one
CID 139231441
2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one
CID 62849613
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334014
1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334013
6-amino-2-[2-(2-hydroxyethoxy)ethyl]benzo[de]isoquinoline-1,3-dione
CID 90448631
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
7,18-bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 58107132

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione?
The IUPAC name of 6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione (CID 43949881) is 6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione.
What is the SMILES notation for 6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione?
The canonical SMILES for 6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione is O=c1c2ccccc2c2ccccc2c(=O)n1CCOCCO.
What is the InChIKey of 6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione?
The InChIKey is UZVMNDPWMIWNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-10-12-23-11-9-19-17(21)15-7-3-1-5-13(15)14-6-2-4-8-16(14)18(19)22/h1-8,20H,9-12H2.
What are the key properties of 6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione?
6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione has a molecular weight of 311.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione is sourced from PubChem (CID 43949881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).