N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide

C14H16N2O3 — CID 115166541

IUPACN-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
SMILESCN1C(=O)CCc2cc(CCNC(=O)C=O)ccc21
InChIInChI=1S/C14H16N2O3/c1-16-12-4-2-10(6-7-15-13(18)9-17)8-11(12)3-5-14(16)19/h2,4,8-9H,3,5-7H2,1H3,(H,15,18)
InChIKeyFDTKYSQIWYBGSI-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.45
Rot. Bonds4

About N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide

N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide (PubChem CID 115166541) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
PubChem CID115166541
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
SMILESCN1C(=O)CCc2cc(CCNC(=O)C=O)ccc21
InChIInChI=1S/C14H16N2O3/c1-16-12-4-2-10(6-7-15-13(18)9-17)8-11(12)3-5-14(16)19/h2,4,8-9H,3,5-7H2,1H3,(H,15,18)
InChIKeyFDTKYSQIWYBGSI-UHFFFAOYSA-N
XLogP0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]propanamide
CID 110788697
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304
1-cyclopentyl-3-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]urea
CID 110775819
4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
CID 110788721
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]furan-2-carboxamide
CID 110788700
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 110788734
1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 82479603
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
3-methoxy-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
CID 110788711
1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one
CID 82479056
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide?
The IUPAC name of N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide (CID 115166541) is N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide?
The canonical SMILES for N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide is CN1C(=O)CCc2cc(CCNC(=O)C=O)ccc21.
What is the InChIKey of N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide?
The InChIKey is FDTKYSQIWYBGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-12-4-2-10(6-7-15-13(18)9-17)8-11(12)3-5-14(16)19/h2,4,8-9H,3,5-7H2,1H3,(H,15,18).
What are the key properties of N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide?
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide has a molecular weight of 260.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 115166541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).