3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one

C10H7ClINO2 — CID 118414190

IUPAC3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one
SMILESCOc1cc2c(=O)c(Cl)c[nH]c2cc1I
InChIInChI=1S/C10H7ClINO2/c1-15-9-2-5-8(3-7(9)12)13-4-6(11)10(5)14/h2-4H,1H3,(H,13,14)
InChIKeyXXBRXPWYANWXML-UHFFFAOYSA-N
MW335.53 g/mol
LogP2.79
Rot. Bonds1

About 3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one

3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one (PubChem CID 118414190) has the molecular formula C10H7ClINO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is 3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one
PubChem CID118414190
Molecular FormulaC10H7ClINO2
Molecular Weight335.53 g/mol
Exact Mass334.92
IUPAC Name3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one
SMILESCOc1cc2c(=O)c(Cl)c[nH]c2cc1I
InChIInChI=1S/C10H7ClINO2/c1-15-9-2-5-8(3-7(9)12)13-4-6(11)10(5)14/h2-4H,1H3,(H,13,14)
InChIKeyXXBRXPWYANWXML-UHFFFAOYSA-N
XLogP2.79
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.53
LogP ≤ 52.79
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 3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one?
The IUPAC name of 3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one (CID 118414190) is 3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one?
The canonical SMILES for 3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one is COc1cc2c(=O)c(Cl)c[nH]c2cc1I.
What is the InChIKey of 3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one?
The InChIKey is XXBRXPWYANWXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClINO2/c1-15-9-2-5-8(3-7(9)12)13-4-6(11)10(5)14/h2-4H,1H3,(H,13,14).
What are the key properties of 3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one?
3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one has a molecular weight of 335.53 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 118414190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).