4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium

C19H18N2O — CID 15749839

IUPAC4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium
SMILESCc1ccccc1N1CCc2c1c1ccccc1[n+]([O-])c2C
InChIInChI=1S/C19H18N2O/c1-13-7-3-5-9-17(13)20-12-11-15-14(2)21(22)18-10-6-4-8-16(18)19(15)20/h3-10H,11-12H2,1-2H3
InChIKeyRLUYOZYKIRXNDV-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.78
Rot. Bonds1

About 4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium

4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium (PubChem CID 15749839) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium.

Molecular Properties

Compound Name4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium
PubChem CID15749839
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium
SMILESCc1ccccc1N1CCc2c1c1ccccc1[n+]([O-])c2C
InChIInChI=1S/C19H18N2O/c1-13-7-3-5-9-17(13)20-12-11-15-14(2)21(22)18-10-6-4-8-16(18)19(15)20/h3-10H,11-12H2,1-2H3
InChIKeyRLUYOZYKIRXNDV-UHFFFAOYSA-N
XLogP3.78
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium?
The IUPAC name of 4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium (CID 15749839) is 4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium.
What is the SMILES notation for 4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium?
The canonical SMILES for 4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium is Cc1ccccc1N1CCc2c1c1ccccc1[n+]([O-])c2C.
What is the InChIKey of 4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium?
The InChIKey is RLUYOZYKIRXNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-7-3-5-9-17(13)20-12-11-15-14(2)21(22)18-10-6-4-8-16(18)19(15)20/h3-10H,11-12H2,1-2H3.
What are the key properties of 4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium?
4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium has a molecular weight of 290.37 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylphenyl)-5-oxido-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium is sourced from PubChem (CID 15749839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).