4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline

C22H29N3O — CID 44629280

IUPAC4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline
SMILESCCCCN1CCC(COc2nc3ccccc3c3cn(C)cc23)CC1
InChIInChI=1S/C22H29N3O/c1-3-4-11-25-12-9-17(10-13-25)16-26-22-20-15-24(2)14-19(20)18-7-5-6-8-21(18)23-22/h5-8,14-15,17H,3-4,9-13,16H2,1-2H3
InChIKeyBVKKVAJCVCQCFL-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.62
Rot. Bonds6

About 4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline

4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline (PubChem CID 44629280) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline.

Molecular Properties

Compound Name4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline
PubChem CID44629280
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline
SMILESCCCCN1CCC(COc2nc3ccccc3c3cn(C)cc23)CC1
InChIInChI=1S/C22H29N3O/c1-3-4-11-25-12-9-17(10-13-25)16-26-22-20-15-24(2)14-19(20)18-7-5-6-8-21(18)23-22/h5-8,14-15,17H,3-4,9-13,16H2,1-2H3
InChIKeyBVKKVAJCVCQCFL-UHFFFAOYSA-N
XLogP4.62
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline?
The IUPAC name of 4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline (CID 44629280) is 4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline.
What is the SMILES notation for 4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline?
The canonical SMILES for 4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline is CCCCN1CCC(COc2nc3ccccc3c3cn(C)cc23)CC1.
What is the InChIKey of 4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline?
The InChIKey is BVKKVAJCVCQCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-4-11-25-12-9-17(10-13-25)16-26-22-20-15-24(2)14-19(20)18-7-5-6-8-21(18)23-22/h5-8,14-15,17H,3-4,9-13,16H2,1-2H3.
What are the key properties of 4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline?
4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline has a molecular weight of 351.49 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline is sourced from PubChem (CID 44629280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).