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

C23H23N3O3 — CID 135871337

IUPAC(11E)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one
SMILESCOc1ccc2c(c1)/C(=N\OCCN1CCCC1)c1c-2c(=O)[nH]c2ccccc12
InChIInChI=1S/C23H23N3O3/c1-28-15-8-9-16-18(14-15)22(25-29-13-12-26-10-4-5-11-26)20-17-6-2-3-7-19(17)24-23(27)21(16)20/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,24,27)/b25-22+
InChIKeyJDWSZTDCKCPHIR-YYDJUVGSSA-N
MW389.46 g/mol
LogP3.38
Rot. Bonds5

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

(11E)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one (PubChem CID 135871337) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (11E)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one.

Molecular Properties

Compound Name(11E)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one
PubChem CID135871337
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(11E)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one
SMILESCOc1ccc2c(c1)/C(=N\OCCN1CCCC1)c1c-2c(=O)[nH]c2ccccc12
InChIInChI=1S/C23H23N3O3/c1-28-15-8-9-16-18(14-15)22(25-29-13-12-26-10-4-5-11-26)20-17-6-2-3-7-19(17)24-23(27)21(16)20/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,24,27)/b25-22+
InChIKeyJDWSZTDCKCPHIR-YYDJUVGSSA-N
XLogP3.38
TPSA66.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.38
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)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one?
The IUPAC name of (11E)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one (CID 135871337) is (11E)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one.
What is the SMILES notation for (11E)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one?
The canonical SMILES for (11E)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one is COc1ccc2c(c1)/C(=N\OCCN1CCCC1)c1c-2c(=O)[nH]c2ccccc12.
What is the InChIKey of (11E)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one?
The InChIKey is JDWSZTDCKCPHIR-YYDJUVGSSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-15-8-9-16-18(14-15)22(25-29-13-12-26-10-4-5-11-26)20-17-6-2-3-7-19(17)24-23(27)21(16)20/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,24,27)/b25-22+.
What are the key properties of (11E)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one?
(11E)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one has a molecular weight of 389.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-9-methoxy-11-(2-pyrrolidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one is sourced from PubChem (CID 135871337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).