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

C24H25N3O3 — CID 135939144

IUPAC(11E)-9-methoxy-11-(2-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one
SMILESCOc1ccc2c(c1)/C(=N\OCCN1CCCCC1)c1c-2c(=O)[nH]c2ccccc12
InChIInChI=1S/C24H25N3O3/c1-29-16-9-10-17-19(15-16)23(26-30-14-13-27-11-5-2-6-12-27)21-18-7-3-4-8-20(18)25-24(28)22(17)21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,25,28)/b26-23+
InChIKeyVFTKFZSHUCTNDS-WNAAXNPUSA-N
MW403.48 g/mol
LogP3.77
Rot. Bonds5

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

(11E)-9-methoxy-11-(2-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one (PubChem CID 135939144) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (11E)-9-methoxy-11-(2-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one.

Molecular Properties

Compound Name(11E)-9-methoxy-11-(2-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one
PubChem CID135939144
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(11E)-9-methoxy-11-(2-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one
SMILESCOc1ccc2c(c1)/C(=N\OCCN1CCCCC1)c1c-2c(=O)[nH]c2ccccc12
InChIInChI=1S/C24H25N3O3/c1-29-16-9-10-17-19(15-16)23(26-30-14-13-27-11-5-2-6-12-27)21-18-7-3-4-8-20(18)25-24(28)22(17)21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,25,28)/b26-23+
InChIKeyVFTKFZSHUCTNDS-WNAAXNPUSA-N
XLogP3.77
TPSA66.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.77
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-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one?
The IUPAC name of (11E)-9-methoxy-11-(2-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one (CID 135939144) is (11E)-9-methoxy-11-(2-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one.
What is the SMILES notation for (11E)-9-methoxy-11-(2-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one?
The canonical SMILES for (11E)-9-methoxy-11-(2-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one is COc1ccc2c(c1)/C(=N\OCCN1CCCCC1)c1c-2c(=O)[nH]c2ccccc12.
What is the InChIKey of (11E)-9-methoxy-11-(2-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one?
The InChIKey is VFTKFZSHUCTNDS-WNAAXNPUSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-16-9-10-17-19(15-16)23(26-30-14-13-27-11-5-2-6-12-27)21-18-7-3-4-8-20(18)25-24(28)22(17)21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,25,28)/b26-23+.
What are the key properties of (11E)-9-methoxy-11-(2-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one?
(11E)-9-methoxy-11-(2-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one has a molecular weight of 403.48 g/mol, XLogP of 3.77, 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-piperidin-1-ylethoxyimino)-5H-indeno[1,2-c]quinolin-6-one is sourced from PubChem (CID 135939144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).