(11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one

C22H23N3O3 — CID 135939143

IUPAC(11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one
SMILESCOc1ccc2c(c1)/C(=N\OCCCN(C)C)c1c-2c(=O)[nH]c2ccccc12
InChIInChI=1S/C22H23N3O3/c1-25(2)11-6-12-28-24-21-17-13-14(27-3)9-10-15(17)20-19(21)16-7-4-5-8-18(16)23-22(20)26/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,23,26)/b24-21+
InChIKeyHJUYVUAGVKWJOF-DARPEHSRSA-N
MW377.44 g/mol
LogP3.24
Rot. Bonds6

About (11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one

(11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one (PubChem CID 135939143) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one.

Molecular Properties

Compound Name(11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one
PubChem CID135939143
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one
SMILESCOc1ccc2c(c1)/C(=N\OCCCN(C)C)c1c-2c(=O)[nH]c2ccccc12
InChIInChI=1S/C22H23N3O3/c1-25(2)11-6-12-28-24-21-17-13-14(27-3)9-10-15(17)20-19(21)16-7-4-5-8-18(16)23-22(20)26/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,23,26)/b24-21+
InChIKeyHJUYVUAGVKWJOF-DARPEHSRSA-N
XLogP3.24
TPSA66.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.24
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-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one?
The IUPAC name of (11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one (CID 135939143) is (11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one.
What is the SMILES notation for (11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one?
The canonical SMILES for (11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one is COc1ccc2c(c1)/C(=N\OCCCN(C)C)c1c-2c(=O)[nH]c2ccccc12.
What is the InChIKey of (11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one?
The InChIKey is HJUYVUAGVKWJOF-DARPEHSRSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-25(2)11-6-12-28-24-21-17-13-14(27-3)9-10-15(17)20-19(21)16-7-4-5-8-18(16)23-22(20)26/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,23,26)/b24-21+.
What are the key properties of (11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one?
(11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one has a molecular weight of 377.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-11-[3-(dimethylamino)propoxyimino]-9-methoxy-5H-indeno[1,2-c]quinolin-6-one is sourced from PubChem (CID 135939143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).