5-chloroindeno[1,2-c]isoquinolin-11-one

C16H8ClNO — CID 23529066

IUPAC5-chloroindeno[1,2-c]isoquinolin-11-one
SMILESO=C1c2ccccc2-c2nc(Cl)c3ccccc3c21
InChIInChI=1S/C16H8ClNO/c17-16-12-8-4-1-5-9(12)13-14(18-16)10-6-2-3-7-11(10)15(13)19/h1-8H
InChIKeyHOMCJNVRVANJPW-UHFFFAOYSA-N
MW265.70 g/mol
LogP4.10
Rot. Bonds

About 5-chloroindeno[1,2-c]isoquinolin-11-one

5-chloroindeno[1,2-c]isoquinolin-11-one (PubChem CID 23529066) has the molecular formula C16H8ClNO and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-chloroindeno[1,2-c]isoquinolin-11-one.

Molecular Properties

Compound Name5-chloroindeno[1,2-c]isoquinolin-11-one
PubChem CID23529066
Molecular FormulaC16H8ClNO
Molecular Weight265.70 g/mol
Exact Mass265.03
IUPAC Name5-chloroindeno[1,2-c]isoquinolin-11-one
SMILESO=C1c2ccccc2-c2nc(Cl)c3ccccc3c21
InChIInChI=1S/C16H8ClNO/c17-16-12-8-4-1-5-9(12)13-14(18-16)10-6-2-3-7-11(10)15(13)19/h1-8H
InChIKeyHOMCJNVRVANJPW-UHFFFAOYSA-N
XLogP4.10
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloroindeno[1,2-c]isoquinolin-11-one?
The IUPAC name of 5-chloroindeno[1,2-c]isoquinolin-11-one (CID 23529066) is 5-chloroindeno[1,2-c]isoquinolin-11-one.
What is the SMILES notation for 5-chloroindeno[1,2-c]isoquinolin-11-one?
The canonical SMILES for 5-chloroindeno[1,2-c]isoquinolin-11-one is O=C1c2ccccc2-c2nc(Cl)c3ccccc3c21.
What is the InChIKey of 5-chloroindeno[1,2-c]isoquinolin-11-one?
The InChIKey is HOMCJNVRVANJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClNO/c17-16-12-8-4-1-5-9(12)13-14(18-16)10-6-2-3-7-11(10)15(13)19/h1-8H.
What are the key properties of 5-chloroindeno[1,2-c]isoquinolin-11-one?
5-chloroindeno[1,2-c]isoquinolin-11-one has a molecular weight of 265.70 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloroindeno[1,2-c]isoquinolin-11-one is sourced from PubChem (CID 23529066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).