6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one

C23H29N3O2 — CID 10199731

IUPAC6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1CNC1CCCNC1c1ccccc1)N(C)C(=O)CC2
InChIInChI=1S/C23H29N3O2/c1-26-20-13-18(21(28-2)14-17(20)10-11-22(26)27)15-25-19-9-6-12-24-23(19)16-7-4-3-5-8-16/h3-5,7-8,13-14,19,23-25H,6,9-12,15H2,1-2H3
InChIKeyCGVFPUYVFBJOCY-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.19
Rot. Bonds5

About 6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one

6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one (PubChem CID 10199731) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one
PubChem CID10199731
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1CNC1CCCNC1c1ccccc1)N(C)C(=O)CC2
InChIInChI=1S/C23H29N3O2/c1-26-20-13-18(21(28-2)14-17(20)10-11-22(26)27)15-25-19-9-6-12-24-23(19)16-7-4-3-5-8-16/h3-5,7-8,13-14,19,23-25H,6,9-12,15H2,1-2H3
InChIKeyCGVFPUYVFBJOCY-UHFFFAOYSA-N
XLogP3.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one (CID 10199731) is 6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one is COc1cc2c(cc1CNC1CCCNC1c1ccccc1)N(C)C(=O)CC2.
What is the InChIKey of 6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is CGVFPUYVFBJOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-26-20-13-18(21(28-2)14-17(20)10-11-22(26)27)15-25-19-9-6-12-24-23(19)16-7-4-3-5-8-16/h3-5,7-8,13-14,19,23-25H,6,9-12,15H2,1-2H3.
What are the key properties of 6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 379.50 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10199731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).