4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid

C26H26N2O5S — CID 70983110

IUPAC4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid
SMILESCc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2CCc1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C26H24N2O.H2O4S/c1-19-23-15-17-28(16-14-20-8-4-2-5-9-20)26(23)24-18-22(12-13-25(24)27-19)29-21-10-6-3-7-11-21;1-5(2,3)4/h2-13,18H,14-17H2,1H3;(H2,1,2,3,4)
InChIKeyODSBEHGIUVZRQF-UHFFFAOYSA-N
MW478.57 g/mol
LogP5.29
Rot. Bonds5

About 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid

4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid (PubChem CID 70983110) has the molecular formula C26H26N2O5S and a molecular weight of 478.57 g/mol. Its IUPAC name is 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid.

Molecular Properties

Compound Name4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid
PubChem CID70983110
Molecular FormulaC26H26N2O5S
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC Name4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid
SMILESCc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2CCc1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C26H24N2O.H2O4S/c1-19-23-15-17-28(16-14-20-8-4-2-5-9-20)26(23)24-18-22(12-13-25(24)27-19)29-21-10-6-3-7-11-21;1-5(2,3)4/h2-13,18H,14-17H2,1H3;(H2,1,2,3,4)
InChIKeyODSBEHGIUVZRQF-UHFFFAOYSA-N
XLogP5.29
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.57
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid?
The IUPAC name of 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid (CID 70983110) is 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid.
What is the SMILES notation for 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid?
The canonical SMILES for 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid is Cc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2CCc1ccccc1.O=S(=O)(O)O.
What is the InChIKey of 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid?
The InChIKey is ODSBEHGIUVZRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O.H2O4S/c1-19-23-15-17-28(16-14-20-8-4-2-5-9-20)26(23)24-18-22(12-13-25(24)27-19)29-21-10-6-3-7-11-21;1-5(2,3)4/h2-13,18H,14-17H2,1H3;(H2,1,2,3,4).
What are the key properties of 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid?
4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid has a molecular weight of 478.57 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;sulfuric acid is sourced from PubChem (CID 70983110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).