N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide

C16H20N2O2 — CID 2017572

IUPACN-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide
SMILESCCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CC
InChIInChI=1S/C16H20N2O2/c1-3-9-18(16(20)4-2)11-12-10-15(19)17-14-8-6-5-7-13(12)14/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,19)
InChIKeyXVWRHFNHWFUXCP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.68
Rot. Bonds5

About N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide

N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide (PubChem CID 2017572) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide
PubChem CID2017572
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide
SMILESCCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CC
InChIInChI=1S/C16H20N2O2/c1-3-9-18(16(20)4-2)11-12-10-15(19)17-14-8-6-5-7-13(12)14/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,19)
InChIKeyXVWRHFNHWFUXCP-UHFFFAOYSA-N
XLogP2.68
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide?
The IUPAC name of N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide (CID 2017572) is N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide.
What is the SMILES notation for N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide?
The canonical SMILES for N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide is CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CC.
What is the InChIKey of N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide?
The InChIKey is XVWRHFNHWFUXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-9-18(16(20)4-2)11-12-10-15(19)17-14-8-6-5-7-13(12)14/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide?
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide is sourced from PubChem (CID 2017572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).