6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

C17H21N3O2 — CID 118746594

IUPAC6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOc1ncccc1CNC1CCc2c(ccc(=O)n2C)C1
InChIInChI=1S/C17H21N3O2/c1-20-15-7-6-14(10-12(15)5-8-16(20)21)19-11-13-4-3-9-18-17(13)22-2/h3-5,8-9,14,19H,6-7,10-11H2,1-2H3
InChIKeyYSRCQCQEGLEHCS-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.44
Rot. Bonds4

About 6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118746594) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118746594
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOc1ncccc1CNC1CCc2c(ccc(=O)n2C)C1
InChIInChI=1S/C17H21N3O2/c1-20-15-7-6-14(10-12(15)5-8-16(20)21)19-11-13-4-3-9-18-17(13)22-2/h3-5,8-9,14,19H,6-7,10-11H2,1-2H3
InChIKeyYSRCQCQEGLEHCS-UHFFFAOYSA-N
XLogP1.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (CID 118746594) is 6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is COc1ncccc1CNC1CCc2c(ccc(=O)n2C)C1.
What is the InChIKey of 6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is YSRCQCQEGLEHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20-15-7-6-14(10-12(15)5-8-16(20)21)19-11-13-4-3-9-18-17(13)22-2/h3-5,8-9,14,19H,6-7,10-11H2,1-2H3.
What are the key properties of 6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 299.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxy-3-pyridinyl)methylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118746594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).