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

C23H28FN3O2 — CID 10135440

IUPAC7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1CNC1CCCNC1c1ccc(F)cc1)N(C)C(=O)CC2
InChIInChI=1S/C23H28FN3O2/c1-27-20-12-17(21(29-2)13-16(20)7-10-22(27)28)14-26-19-4-3-11-25-23(19)15-5-8-18(24)9-6-15/h5-6,8-9,12-13,19,23,25-26H,3-4,7,10-11,14H2,1-2H3
InChIKeyCWQOQQMXYSRVJV-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.33
Rot. Bonds5

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

7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 10135440) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID10135440
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1CNC1CCCNC1c1ccc(F)cc1)N(C)C(=O)CC2
InChIInChI=1S/C23H28FN3O2/c1-27-20-12-17(21(29-2)13-16(20)7-10-22(27)28)14-26-19-4-3-11-25-23(19)15-5-8-18(24)9-6-15/h5-6,8-9,12-13,19,23,25-26H,3-4,7,10-11,14H2,1-2H3
InChIKeyCWQOQQMXYSRVJV-UHFFFAOYSA-N
XLogP3.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-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 7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one (CID 10135440) is 7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one is COc1cc2c(cc1CNC1CCCNC1c1ccc(F)cc1)N(C)C(=O)CC2.
What is the InChIKey of 7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is CWQOQQMXYSRVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-27-20-12-17(21(29-2)13-16(20)7-10-22(27)28)14-26-19-4-3-11-25-23(19)15-5-8-18(24)9-6-15/h5-6,8-9,12-13,19,23,25-26H,3-4,7,10-11,14H2,1-2H3.
What are the key properties of 7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one?
7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 397.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10135440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).