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

C15H19N3O2 — CID 63661342

IUPAC1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NC2CCC(=O)NC2)c2ccccc21
InChIInChI=1S/C15H19N3O2/c1-18-13-5-3-2-4-11(13)12(8-15(18)20)17-10-6-7-14(19)16-9-10/h2-5,10,12,17H,6-9H2,1H3,(H,16,19)
InChIKeyXLZQPBCQHJOCFT-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds2

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

1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one (PubChem CID 63661342) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one
PubChem CID63661342
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NC2CCC(=O)NC2)c2ccccc21
InChIInChI=1S/C15H19N3O2/c1-18-13-5-3-2-4-11(13)12(8-15(18)20)17-10-6-7-14(19)16-9-10/h2-5,10,12,17H,6-9H2,1H3,(H,16,19)
InChIKeyXLZQPBCQHJOCFT-UHFFFAOYSA-N
XLogP0.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one (CID 63661342) is 1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one is CN1C(=O)CC(NC2CCC(=O)NC2)c2ccccc21.
What is the InChIKey of 1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one?
The InChIKey is XLZQPBCQHJOCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-13-5-3-2-4-11(13)12(8-15(18)20)17-10-6-7-14(19)16-9-10/h2-5,10,12,17H,6-9H2,1H3,(H,16,19).
What are the key properties of 1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one?
1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one has a molecular weight of 273.34 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63661342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).