(11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one

C21H21N3O3 — CID 135939142

IUPAC(11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one
SMILESCOc1ccc2c(c1)/C(=N\OCCN(C)C)c1c-2c(=O)[nH]c2ccccc12
InChIInChI=1S/C21H21N3O3/c1-24(2)10-11-27-23-20-16-12-13(26-3)8-9-14(16)19-18(20)15-6-4-5-7-17(15)22-21(19)25/h4-9,12H,10-11H2,1-3H3,(H,22,25)/b23-20+
InChIKeyDRNFRVKQILMZMW-BSYVCWPDSA-N
MW363.42 g/mol
LogP2.85
Rot. Bonds5

About (11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one

(11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one (PubChem CID 135939142) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one.

Molecular Properties

Compound Name(11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one
PubChem CID135939142
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one
SMILESCOc1ccc2c(c1)/C(=N\OCCN(C)C)c1c-2c(=O)[nH]c2ccccc12
InChIInChI=1S/C21H21N3O3/c1-24(2)10-11-27-23-20-16-12-13(26-3)8-9-14(16)19-18(20)15-6-4-5-7-17(15)22-21(19)25/h4-9,12H,10-11H2,1-3H3,(H,22,25)/b23-20+
InChIKeyDRNFRVKQILMZMW-BSYVCWPDSA-N
XLogP2.85
TPSA66.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one?
The IUPAC name of (11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one (CID 135939142) is (11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one.
What is the SMILES notation for (11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one?
The canonical SMILES for (11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one is COc1ccc2c(c1)/C(=N\OCCN(C)C)c1c-2c(=O)[nH]c2ccccc12.
What is the InChIKey of (11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one?
The InChIKey is DRNFRVKQILMZMW-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24(2)10-11-27-23-20-16-12-13(26-3)8-9-14(16)19-18(20)15-6-4-5-7-17(15)22-21(19)25/h4-9,12H,10-11H2,1-3H3,(H,22,25)/b23-20+.
What are the key properties of (11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one?
(11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one has a molecular weight of 363.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-11-[2-(dimethylamino)ethoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one is sourced from PubChem (CID 135939142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).