7-(dimethylamino)-6-iodo-1H-quinolin-2-one

C11H11IN2O — CID 66900075

IUPAC7-(dimethylamino)-6-iodo-1H-quinolin-2-one
SMILESCN(C)c1cc2[nH]c(=O)ccc2cc1I
InChIInChI=1S/C11H11IN2O/c1-14(2)10-6-9-7(5-8(10)12)3-4-11(15)13-9/h3-6H,1-2H3,(H,13,15)
InChIKeyRPPGYKGHSBSOJV-UHFFFAOYSA-N
MW314.13 g/mol
LogP2.20
Rot. Bonds1

About 7-(dimethylamino)-6-iodo-1H-quinolin-2-one

7-(dimethylamino)-6-iodo-1H-quinolin-2-one (PubChem CID 66900075) has the molecular formula C11H11IN2O and a molecular weight of 314.13 g/mol. Its IUPAC name is 7-(dimethylamino)-6-iodo-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-6-iodo-1H-quinolin-2-one
PubChem CID66900075
Molecular FormulaC11H11IN2O
Molecular Weight314.13 g/mol
Exact Mass313.99
IUPAC Name7-(dimethylamino)-6-iodo-1H-quinolin-2-one
SMILESCN(C)c1cc2[nH]c(=O)ccc2cc1I
InChIInChI=1S/C11H11IN2O/c1-14(2)10-6-9-7(5-8(10)12)3-4-11(15)13-9/h3-6H,1-2H3,(H,13,15)
InChIKeyRPPGYKGHSBSOJV-UHFFFAOYSA-N
XLogP2.20
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-6-iodo-1H-quinolin-2-one?
The IUPAC name of 7-(dimethylamino)-6-iodo-1H-quinolin-2-one (CID 66900075) is 7-(dimethylamino)-6-iodo-1H-quinolin-2-one.
What is the SMILES notation for 7-(dimethylamino)-6-iodo-1H-quinolin-2-one?
The canonical SMILES for 7-(dimethylamino)-6-iodo-1H-quinolin-2-one is CN(C)c1cc2[nH]c(=O)ccc2cc1I.
What is the InChIKey of 7-(dimethylamino)-6-iodo-1H-quinolin-2-one?
The InChIKey is RPPGYKGHSBSOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O/c1-14(2)10-6-9-7(5-8(10)12)3-4-11(15)13-9/h3-6H,1-2H3,(H,13,15).
What are the key properties of 7-(dimethylamino)-6-iodo-1H-quinolin-2-one?
7-(dimethylamino)-6-iodo-1H-quinolin-2-one has a molecular weight of 314.13 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-6-iodo-1H-quinolin-2-one is sourced from PubChem (CID 66900075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).