1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline

C27H24N2O — CID 16727366

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline
SMILESCc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2C1Cc2ccccc2C1
InChIInChI=1S/C27H24N2O/c1-18-24-13-14-29(21-15-19-7-5-6-8-20(19)16-21)27(24)25-17-23(11-12-26(25)28-18)30-22-9-3-2-4-10-22/h2-12,17,21H,13-16H2,1H3
InChIKeyRGYMMMXHXLDZQA-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.87
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline

1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline (PubChem CID 16727366) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline
PubChem CID16727366
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline
SMILESCc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2C1Cc2ccccc2C1
InChIInChI=1S/C27H24N2O/c1-18-24-13-14-29(21-15-19-7-5-6-8-20(19)16-21)27(24)25-17-23(11-12-26(25)28-18)30-22-9-3-2-4-10-22/h2-12,17,21H,13-16H2,1H3
InChIKeyRGYMMMXHXLDZQA-UHFFFAOYSA-N
XLogP5.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline (CID 16727366) is 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline is Cc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline?
The InChIKey is RGYMMMXHXLDZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-18-24-13-14-29(21-15-19-7-5-6-8-20(19)16-21)27(24)25-17-23(11-12-26(25)28-18)30-22-9-3-2-4-10-22/h2-12,17,21H,13-16H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline?
1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline has a molecular weight of 392.50 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinoline is sourced from PubChem (CID 16727366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).