4-iodo-7-methoxy-2-phenylquinoline

C16H12INO — CID 143031618

IUPAC4-iodo-7-methoxy-2-phenylquinoline
SMILESCOc1ccc2c(I)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C16H12INO/c1-19-12-7-8-13-14(17)10-15(18-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyKYLPBYFVSYTDIY-UHFFFAOYSA-N
MW361.18 g/mol
LogP4.51
Rot. Bonds2

About 4-iodo-7-methoxy-2-phenylquinoline

4-iodo-7-methoxy-2-phenylquinoline (PubChem CID 143031618) has the molecular formula C16H12INO and a molecular weight of 361.18 g/mol. Its IUPAC name is 4-iodo-7-methoxy-2-phenylquinoline.

Molecular Properties

Compound Name4-iodo-7-methoxy-2-phenylquinoline
PubChem CID143031618
Molecular FormulaC16H12INO
Molecular Weight361.18 g/mol
Exact Mass361.00
IUPAC Name4-iodo-7-methoxy-2-phenylquinoline
SMILESCOc1ccc2c(I)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C16H12INO/c1-19-12-7-8-13-14(17)10-15(18-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyKYLPBYFVSYTDIY-UHFFFAOYSA-N
XLogP4.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 54.51
H-Bond Donors ≤ 50
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 4-iodo-7-methoxy-2-phenylquinoline?
The IUPAC name of 4-iodo-7-methoxy-2-phenylquinoline (CID 143031618) is 4-iodo-7-methoxy-2-phenylquinoline.
What is the SMILES notation for 4-iodo-7-methoxy-2-phenylquinoline?
The canonical SMILES for 4-iodo-7-methoxy-2-phenylquinoline is COc1ccc2c(I)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 4-iodo-7-methoxy-2-phenylquinoline?
The InChIKey is KYLPBYFVSYTDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO/c1-19-12-7-8-13-14(17)10-15(18-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 4-iodo-7-methoxy-2-phenylquinoline?
4-iodo-7-methoxy-2-phenylquinoline has a molecular weight of 361.18 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-7-methoxy-2-phenylquinoline is sourced from PubChem (CID 143031618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).