2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline

C23H17ClINO — CID 177400890

IUPAC2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline
SMILESCOc1ccc(-c2c(I)c(-c3ccc(Cl)cc3)nc3c(C)cccc23)cc1
InChIInChI=1S/C23H17ClINO/c1-14-4-3-5-19-20(15-8-12-18(27-2)13-9-15)21(25)23(26-22(14)19)16-6-10-17(24)11-7-16/h3-13H,1-2H3
InChIKeyWOFQRAAXTOOABZ-UHFFFAOYSA-N
MW485.75 g/mol
LogP7.14
Rot. Bonds3

About 2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline

2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline (PubChem CID 177400890) has the molecular formula C23H17ClINO and a molecular weight of 485.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline
PubChem CID177400890
Molecular FormulaC23H17ClINO
Molecular Weight485.75 g/mol
Exact Mass485.00
IUPAC Name2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline
SMILESCOc1ccc(-c2c(I)c(-c3ccc(Cl)cc3)nc3c(C)cccc23)cc1
InChIInChI=1S/C23H17ClINO/c1-14-4-3-5-19-20(15-8-12-18(27-2)13-9-15)21(25)23(26-22(14)19)16-6-10-17(24)11-7-16/h3-13H,1-2H3
InChIKeyWOFQRAAXTOOABZ-UHFFFAOYSA-N
XLogP7.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.75
LogP ≤ 57.14
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 2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline?
The IUPAC name of 2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline (CID 177400890) is 2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline?
The canonical SMILES for 2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline is COc1ccc(-c2c(I)c(-c3ccc(Cl)cc3)nc3c(C)cccc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline?
The InChIKey is WOFQRAAXTOOABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClINO/c1-14-4-3-5-19-20(15-8-12-18(27-2)13-9-15)21(25)23(26-22(14)19)16-6-10-17(24)11-7-16/h3-13H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline?
2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline has a molecular weight of 485.75 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-iodo-4-(4-methoxyphenyl)-8-methylquinoline is sourced from PubChem (CID 177400890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).