2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline

C26H29N3O — CID 44629279

IUPAC2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline
SMILESCn1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1
InChIInChI=1S/C26H29N3O/c1-28-17-23-22-9-5-6-10-25(22)27-26(24(23)18-28)30-19-21-12-15-29(16-13-21)14-11-20-7-3-2-4-8-20/h2-10,17-18,21H,11-16,19H2,1H3
InChIKeyFJLWRVJMCXVJOE-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.06
Rot. Bonds6

About 2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline

2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline (PubChem CID 44629279) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline.

Molecular Properties

Compound Name2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline
PubChem CID44629279
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline
SMILESCn1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1
InChIInChI=1S/C26H29N3O/c1-28-17-23-22-9-5-6-10-25(22)27-26(24(23)18-28)30-19-21-12-15-29(16-13-21)14-11-20-7-3-2-4-8-20/h2-10,17-18,21H,11-16,19H2,1H3
InChIKeyFJLWRVJMCXVJOE-UHFFFAOYSA-N
XLogP5.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline?
The IUPAC name of 2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline (CID 44629279) is 2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline.
What is the SMILES notation for 2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline?
The canonical SMILES for 2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline is Cn1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1.
What is the InChIKey of 2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline?
The InChIKey is FJLWRVJMCXVJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-28-17-23-22-9-5-6-10-25(22)27-26(24(23)18-28)30-19-21-12-15-29(16-13-21)14-11-20-7-3-2-4-8-20/h2-10,17-18,21H,11-16,19H2,1H3.
What are the key properties of 2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline?
2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline has a molecular weight of 399.54 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline is sourced from PubChem (CID 44629279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).