N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide

C18H20N4O3 — CID 56644467

IUPACN-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide
SMILESCn1c(=O)c(C#N)c(N2CCC(NC(=O)CO)CC2)c2ccccc21
InChIInChI=1S/C18H20N4O3/c1-21-15-5-3-2-4-13(15)17(14(10-19)18(21)25)22-8-6-12(7-9-22)20-16(24)11-23/h2-5,12,23H,6-9,11H2,1H3,(H,20,24)
InChIKeyQMQHTAFFUDMUKE-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.49
Rot. Bonds3

About N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide

N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide (PubChem CID 56644467) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide
PubChem CID56644467
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide
SMILESCn1c(=O)c(C#N)c(N2CCC(NC(=O)CO)CC2)c2ccccc21
InChIInChI=1S/C18H20N4O3/c1-21-15-5-3-2-4-13(15)17(14(10-19)18(21)25)22-8-6-12(7-9-22)20-16(24)11-23/h2-5,12,23H,6-9,11H2,1H3,(H,20,24)
InChIKeyQMQHTAFFUDMUKE-UHFFFAOYSA-N
XLogP0.49
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide?
The IUPAC name of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide (CID 56644467) is N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide is Cn1c(=O)c(C#N)c(N2CCC(NC(=O)CO)CC2)c2ccccc21.
What is the InChIKey of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide?
The InChIKey is QMQHTAFFUDMUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-21-15-5-3-2-4-13(15)17(14(10-19)18(21)25)22-8-6-12(7-9-22)20-16(24)11-23/h2-5,12,23H,6-9,11H2,1H3,(H,20,24).
What are the key properties of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide?
N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide has a molecular weight of 340.38 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 56644467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).