(E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine

C23H23N3O2 — CID 42598388

IUPAC(E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine
SMILESCOc1ccc2c(c1)/C(=N\OCCN1CCCC1)c1c-2cnc2ccccc12
InChIInChI=1S/C23H23N3O2/c1-27-16-8-9-17-19(14-16)23(25-28-13-12-26-10-4-5-11-26)22-18-6-2-3-7-21(18)24-15-20(17)22/h2-3,6-9,14-15H,4-5,10-13H2,1H3/b25-23+
InChIKeyHYOJEDQSYXZDSS-WJTDDFOZSA-N
MW373.46 g/mol
LogP4.09
Rot. Bonds5

About (E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine

(E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine (PubChem CID 42598388) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine.

Molecular Properties

Compound Name(E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine
PubChem CID42598388
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine
SMILESCOc1ccc2c(c1)/C(=N\OCCN1CCCC1)c1c-2cnc2ccccc12
InChIInChI=1S/C23H23N3O2/c1-27-16-8-9-17-19(14-16)23(25-28-13-12-26-10-4-5-11-26)22-18-6-2-3-7-21(18)24-15-20(17)22/h2-3,6-9,14-15H,4-5,10-13H2,1H3/b25-23+
InChIKeyHYOJEDQSYXZDSS-WJTDDFOZSA-N
XLogP4.09
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
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 (E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine?
The IUPAC name of (E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine (CID 42598388) is (E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine.
What is the SMILES notation for (E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine?
The canonical SMILES for (E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine is COc1ccc2c(c1)/C(=N\OCCN1CCCC1)c1c-2cnc2ccccc12.
What is the InChIKey of (E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine?
The InChIKey is HYOJEDQSYXZDSS-WJTDDFOZSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-27-16-8-9-17-19(14-16)23(25-28-13-12-26-10-4-5-11-26)22-18-6-2-3-7-21(18)24-15-20(17)22/h2-3,6-9,14-15H,4-5,10-13H2,1H3/b25-23+.
What are the key properties of (E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine?
(E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine has a molecular weight of 373.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-methoxy-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine is sourced from PubChem (CID 42598388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).