8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one

C12H9ClINO — CID 107607576

IUPAC8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one
SMILESO=c1cc(C2CC2)[nH]c2c(Cl)cc(I)cc12
InChIInChI=1S/C12H9ClINO/c13-9-4-7(14)3-8-11(16)5-10(6-1-2-6)15-12(8)9/h3-6H,1-2H2,(H,15,16)
InChIKeyQGAHMRSRRXQHNC-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.66
Rot. Bonds1

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

8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one (PubChem CID 107607576) has the molecular formula C12H9ClINO and a molecular weight of 345.57 g/mol. Its IUPAC name is 8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one
PubChem CID107607576
Molecular FormulaC12H9ClINO
Molecular Weight345.57 g/mol
Exact Mass344.94
IUPAC Name8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one
SMILESO=c1cc(C2CC2)[nH]c2c(Cl)cc(I)cc12
InChIInChI=1S/C12H9ClINO/c13-9-4-7(14)3-8-11(16)5-10(6-1-2-6)15-12(8)9/h3-6H,1-2H2,(H,15,16)
InChIKeyQGAHMRSRRXQHNC-UHFFFAOYSA-N
XLogP3.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.66
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 8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one?
The IUPAC name of 8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one (CID 107607576) is 8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one is O=c1cc(C2CC2)[nH]c2c(Cl)cc(I)cc12.
What is the InChIKey of 8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one?
The InChIKey is QGAHMRSRRXQHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINO/c13-9-4-7(14)3-8-11(16)5-10(6-1-2-6)15-12(8)9/h3-6H,1-2H2,(H,15,16).
What are the key properties of 8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one?
8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one has a molecular weight of 345.57 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one is sourced from PubChem (CID 107607576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).