9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline

C26H22N2O — CID 15322970

IUPAC9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline
SMILESCOc1c2nc(-c3ccccc3)cc(-c3ccccc3)c2cc2c(C)c(C)[nH]c12
InChIInChI=1S/C26H22N2O/c1-16-17(2)27-24-20(16)14-22-21(18-10-6-4-7-11-18)15-23(19-12-8-5-9-13-19)28-25(22)26(24)29-3/h4-15,27H,1-3H3
InChIKeyATEYCKOVJYJKCT-UHFFFAOYSA-N
MW378.48 g/mol
LogP6.68
Rot. Bonds3

About 9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline

9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline (PubChem CID 15322970) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline.

Molecular Properties

Compound Name9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline
PubChem CID15322970
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline
SMILESCOc1c2nc(-c3ccccc3)cc(-c3ccccc3)c2cc2c(C)c(C)[nH]c12
InChIInChI=1S/C26H22N2O/c1-16-17(2)27-24-20(16)14-22-21(18-10-6-4-7-11-18)15-23(19-12-8-5-9-13-19)28-25(22)26(24)29-3/h4-15,27H,1-3H3
InChIKeyATEYCKOVJYJKCT-UHFFFAOYSA-N
XLogP6.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline?
The IUPAC name of 9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline (CID 15322970) is 9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline.
What is the SMILES notation for 9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline?
The canonical SMILES for 9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline is COc1c2nc(-c3ccccc3)cc(-c3ccccc3)c2cc2c(C)c(C)[nH]c12.
What is the InChIKey of 9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline?
The InChIKey is ATEYCKOVJYJKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c1-16-17(2)27-24-20(16)14-22-21(18-10-6-4-7-11-18)15-23(19-12-8-5-9-13-19)28-25(22)26(24)29-3/h4-15,27H,1-3H3.
What are the key properties of 9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline?
9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline has a molecular weight of 378.48 g/mol, XLogP of 6.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2,3-dimethyl-5,7-diphenyl-1H-pyrrolo[3,2-g]quinoline is sourced from PubChem (CID 15322970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).