3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium

C32H28N3O2+ — CID 53257973

IUPAC3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium
SMILESCOc1ccc(Cn2c(-c3ccccc3)nc3c4ccccc4[n+](Cc4ccc(OC)cc4)cc32)cc1
InChIInChI=1S/C32H28N3O2/c1-36-26-16-12-23(13-17-26)20-34-22-30-31(28-10-6-7-11-29(28)34)33-32(25-8-4-3-5-9-25)35(30)21-24-14-18-27(37-2)19-15-24/h3-19,22H,20-21H2,1-2H3/q+1
InChIKeyOSJMRPOAWOZTJC-UHFFFAOYSA-N
MW486.60 g/mol
LogP6.26
Rot. Bonds7

About 3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium

3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium (PubChem CID 53257973) has the molecular formula C32H28N3O2+ and a molecular weight of 486.60 g/mol. Its IUPAC name is 3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium.

Molecular Properties

Compound Name3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium
PubChem CID53257973
Molecular FormulaC32H28N3O2+
Molecular Weight486.60 g/mol
Exact Mass486.22
IUPAC Name3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium
SMILESCOc1ccc(Cn2c(-c3ccccc3)nc3c4ccccc4[n+](Cc4ccc(OC)cc4)cc32)cc1
InChIInChI=1S/C32H28N3O2/c1-36-26-16-12-23(13-17-26)20-34-22-30-31(28-10-6-7-11-29(28)34)33-32(25-8-4-3-5-9-25)35(30)21-24-14-18-27(37-2)19-15-24/h3-19,22H,20-21H2,1-2H3/q+1
InChIKeyOSJMRPOAWOZTJC-UHFFFAOYSA-N
XLogP6.26
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium?
The IUPAC name of 3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium (CID 53257973) is 3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium.
What is the SMILES notation for 3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium?
The canonical SMILES for 3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium is COc1ccc(Cn2c(-c3ccccc3)nc3c4ccccc4[n+](Cc4ccc(OC)cc4)cc32)cc1.
What is the InChIKey of 3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium?
The InChIKey is OSJMRPOAWOZTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N3O2/c1-36-26-16-12-23(13-17-26)20-34-22-30-31(28-10-6-7-11-29(28)34)33-32(25-8-4-3-5-9-25)35(30)21-24-14-18-27(37-2)19-15-24/h3-19,22H,20-21H2,1-2H3/q+1.
What are the key properties of 3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium?
3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium has a molecular weight of 486.60 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-c]quinolin-5-ium is sourced from PubChem (CID 53257973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).