N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide

C16H20N2O3 — CID 18473157

IUPACN-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCNC(=O)c1c[nH]c2ccc(COC)cc2c1=O
InChIInChI=1S/C16H20N2O3/c1-3-4-7-17-16(20)13-9-18-14-6-5-11(10-21-2)8-12(14)15(13)19/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUNFFSEHPJHAWPC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.20
Rot. Bonds6

About N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide

N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 18473157) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID18473157
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCNC(=O)c1c[nH]c2ccc(COC)cc2c1=O
InChIInChI=1S/C16H20N2O3/c1-3-4-7-17-16(20)13-9-18-14-6-5-11(10-21-2)8-12(14)15(13)19/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUNFFSEHPJHAWPC-UHFFFAOYSA-N
XLogP2.20
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 25235263
N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143617094
N-butyl-6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 126479543
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate
CID 71706440
6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 20854286
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278
6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 118577946
6-bromo-N-(3-(18F)fluoropropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25235213
6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25210565
methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate
CID 118578514

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide (CID 18473157) is N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide is CCCCNC(=O)c1c[nH]c2ccc(COC)cc2c1=O.
What is the InChIKey of N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is UNFFSEHPJHAWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-4-7-17-16(20)13-9-18-14-6-5-11(10-21-2)8-12(14)15(13)19/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide?
N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 18473157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).