3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one

C23H27N3O2 — CID 3171675

IUPAC3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CNC3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C23H27N3O2/c1-28-21-8-7-18-13-19(23(27)25-22(18)14-21)15-24-20-9-11-26(12-10-20)16-17-5-3-2-4-6-17/h2-8,13-14,20,24H,9-12,15-16H2,1H3,(H,25,27)
InChIKeyMRIKJSDRLBDZRI-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.29
Rot. Bonds6

About 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one

3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 3171675) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one
PubChem CID3171675
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CNC3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C23H27N3O2/c1-28-21-8-7-18-13-19(23(27)25-22(18)14-21)15-24-20-9-11-26(12-10-20)16-17-5-3-2-4-6-17/h2-8,13-14,20,24H,9-12,15-16H2,1H3,(H,25,27)
InChIKeyMRIKJSDRLBDZRI-UHFFFAOYSA-N
XLogP3.29
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one (CID 3171675) is 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(CNC3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is MRIKJSDRLBDZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-28-21-8-7-18-13-19(23(27)25-22(18)14-21)15-24-20-9-11-26(12-10-20)16-17-5-3-2-4-6-17/h2-8,13-14,20,24H,9-12,15-16H2,1H3,(H,25,27).
What are the key properties of 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 3171675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).