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

C24H31N3O2 — CID 10135212

IUPAC6-methoxy-1-methyl-7-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1CNC1CCC(C)NC1c1ccccc1)N(C)C(=O)CC2
InChIInChI=1S/C24H31N3O2/c1-16-9-11-20(24(26-16)17-7-5-4-6-8-17)25-15-19-13-21-18(14-22(19)29-3)10-12-23(28)27(21)2/h4-8,13-14,16,20,24-26H,9-12,15H2,1-3H3
InChIKeyWENUKNPSDNCTQJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.58
Rot. Bonds5

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

6-methoxy-1-methyl-7-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one (PubChem CID 10135212) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 6-methoxy-1-methyl-7-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-methoxy-1-methyl-7-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one
PubChem CID10135212
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name6-methoxy-1-methyl-7-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1CNC1CCC(C)NC1c1ccccc1)N(C)C(=O)CC2
InChIInChI=1S/C24H31N3O2/c1-16-9-11-20(24(26-16)17-7-5-4-6-8-17)25-15-19-13-21-18(14-22(19)29-3)10-12-23(28)27(21)2/h4-8,13-14,16,20,24-26H,9-12,15H2,1-3H3
InChIKeyWENUKNPSDNCTQJ-UHFFFAOYSA-N
XLogP3.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-7-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-methoxy-1-methyl-7-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one (CID 10135212) is 6-methoxy-1-methyl-7-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-methoxy-1-methyl-7-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-methoxy-1-methyl-7-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one is COc1cc2c(cc1CNC1CCC(C)NC1c1ccccc1)N(C)C(=O)CC2.
What is the InChIKey of 6-methoxy-1-methyl-7-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is WENUKNPSDNCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-16-9-11-20(24(26-16)17-7-5-4-6-8-17)25-15-19-13-21-18(14-22(19)29-3)10-12-23(28)27(21)2/h4-8,13-14,16,20,24-26H,9-12,15H2,1-3H3.
What are the key properties of 6-methoxy-1-methyl-7-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
6-methoxy-1-methyl-7-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 393.53 g/mol, XLogP of 3.58, 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-[[(6-methyl-2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10135212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).