4-(4-methoxyphenyl)-3-phenylselanylquinoline

C22H17NOSe — CID 86038980

IUPAC4-(4-methoxyphenyl)-3-phenylselanylquinoline
SMILESCOc1ccc(-c2c([Se]c3ccccc3)cnc3ccccc23)cc1
InChIInChI=1S/C22H17NOSe/c1-24-17-13-11-16(12-14-17)22-19-9-5-6-10-20(19)23-15-21(22)25-18-7-3-2-4-8-18/h2-15H,1H3
InChIKeyASQKCWHWDCOVJK-UHFFFAOYSA-N
MW390.34 g/mol
LogP3.57
Rot. Bonds4

About 4-(4-methoxyphenyl)-3-phenylselanylquinoline

4-(4-methoxyphenyl)-3-phenylselanylquinoline (PubChem CID 86038980) has the molecular formula C22H17NOSe and a molecular weight of 390.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-phenylselanylquinoline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-phenylselanylquinoline
PubChem CID86038980
Molecular FormulaC22H17NOSe
Molecular Weight390.34 g/mol
Exact Mass391.05
IUPAC Name4-(4-methoxyphenyl)-3-phenylselanylquinoline
SMILESCOc1ccc(-c2c([Se]c3ccccc3)cnc3ccccc23)cc1
InChIInChI=1S/C22H17NOSe/c1-24-17-13-11-16(12-14-17)22-19-9-5-6-10-20(19)23-15-21(22)25-18-7-3-2-4-8-18/h2-15H,1H3
InChIKeyASQKCWHWDCOVJK-UHFFFAOYSA-N
XLogP3.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-phenylselanylquinoline?
The IUPAC name of 4-(4-methoxyphenyl)-3-phenylselanylquinoline (CID 86038980) is 4-(4-methoxyphenyl)-3-phenylselanylquinoline.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-phenylselanylquinoline?
The canonical SMILES for 4-(4-methoxyphenyl)-3-phenylselanylquinoline is COc1ccc(-c2c([Se]c3ccccc3)cnc3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-phenylselanylquinoline?
The InChIKey is ASQKCWHWDCOVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NOSe/c1-24-17-13-11-16(12-14-17)22-19-9-5-6-10-20(19)23-15-21(22)25-18-7-3-2-4-8-18/h2-15H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-3-phenylselanylquinoline?
4-(4-methoxyphenyl)-3-phenylselanylquinoline has a molecular weight of 390.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-phenylselanylquinoline is sourced from PubChem (CID 86038980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).