2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline

C18H21N3O — CID 67211178

IUPAC2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline
SMILESCn1cc2c(OCC3CCNCC3)nc3ccccc3c2c1
InChIInChI=1S/C18H21N3O/c1-21-10-15-14-4-2-3-5-17(14)20-18(16(15)11-21)22-12-13-6-8-19-9-7-13/h2-5,10-11,13,19H,6-9,12H2,1H3
InChIKeyAPGXDDLEPWRJKL-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.10
Rot. Bonds3

About 2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline

2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline (PubChem CID 67211178) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline.

Molecular Properties

Compound Name2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline
PubChem CID67211178
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline
SMILESCn1cc2c(OCC3CCNCC3)nc3ccccc3c2c1
InChIInChI=1S/C18H21N3O/c1-21-10-15-14-4-2-3-5-17(14)20-18(16(15)11-21)22-12-13-6-8-19-9-7-13/h2-5,10-11,13,19H,6-9,12H2,1H3
InChIKeyAPGXDDLEPWRJKL-UHFFFAOYSA-N
XLogP3.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline?
The IUPAC name of 2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline (CID 67211178) is 2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline.
What is the SMILES notation for 2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline?
The canonical SMILES for 2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline is Cn1cc2c(OCC3CCNCC3)nc3ccccc3c2c1.
What is the InChIKey of 2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline?
The InChIKey is APGXDDLEPWRJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-21-10-15-14-4-2-3-5-17(14)20-18(16(15)11-21)22-12-13-6-8-19-9-7-13/h2-5,10-11,13,19H,6-9,12H2,1H3.
What are the key properties of 2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline?
2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline has a molecular weight of 295.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline is sourced from PubChem (CID 67211178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).