6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one

C12H11ClINO — CID 107628024

IUPAC6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one
SMILESCC(C)c1cc(=O)c2cc(Cl)cc(I)c2[nH]1
InChIInChI=1S/C12H11ClINO/c1-6(2)10-5-11(16)8-3-7(13)4-9(14)12(8)15-10/h3-6H,1-2H3,(H,15,16)
InChIKeyHUEGUKUUTZLAEC-UHFFFAOYSA-N
MW347.58 g/mol
LogP3.91
Rot. Bonds1

About 6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one

6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one (PubChem CID 107628024) has the molecular formula C12H11ClINO and a molecular weight of 347.58 g/mol. Its IUPAC name is 6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one
PubChem CID107628024
Molecular FormulaC12H11ClINO
Molecular Weight347.58 g/mol
Exact Mass346.96
IUPAC Name6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one
SMILESCC(C)c1cc(=O)c2cc(Cl)cc(I)c2[nH]1
InChIInChI=1S/C12H11ClINO/c1-6(2)10-5-11(16)8-3-7(13)4-9(14)12(8)15-10/h3-6H,1-2H3,(H,15,16)
InChIKeyHUEGUKUUTZLAEC-UHFFFAOYSA-N
XLogP3.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.58
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one?
The IUPAC name of 6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one (CID 107628024) is 6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one is CC(C)c1cc(=O)c2cc(Cl)cc(I)c2[nH]1.
What is the InChIKey of 6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one?
The InChIKey is HUEGUKUUTZLAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClINO/c1-6(2)10-5-11(16)8-3-7(13)4-9(14)12(8)15-10/h3-6H,1-2H3,(H,15,16).
What are the key properties of 6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one?
6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one has a molecular weight of 347.58 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one is sourced from PubChem (CID 107628024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).