4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide

C17H21FN2O3 — CID 50844702

IUPAC4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide
SMILESCCOc1cc(C(=O)NCCCOC)nc2c(C)cc(F)cc12
InChIInChI=1S/C17H21FN2O3/c1-4-23-15-10-14(17(21)19-6-5-7-22-3)20-16-11(2)8-12(18)9-13(15)16/h8-10H,4-7H2,1-3H3,(H,19,21)
InChIKeyBIYKCBFLXJCAMR-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.85
Rot. Bonds7

About 4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide

4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide (PubChem CID 50844702) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide
PubChem CID50844702
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide
SMILESCCOc1cc(C(=O)NCCCOC)nc2c(C)cc(F)cc12
InChIInChI=1S/C17H21FN2O3/c1-4-23-15-10-14(17(21)19-6-5-7-22-3)20-16-11(2)8-12(18)9-13(15)16/h8-10H,4-7H2,1-3H3,(H,19,21)
InChIKeyBIYKCBFLXJCAMR-UHFFFAOYSA-N
XLogP2.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid
CID 53491075
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365167
2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324175
6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109363776
1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide
CID 100816395
2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide
CID 110763222
N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109324113
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114381
2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
CID 60702097
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324105

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide?
The IUPAC name of 4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide (CID 50844702) is 4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide.
What is the SMILES notation for 4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide?
The canonical SMILES for 4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide is CCOc1cc(C(=O)NCCCOC)nc2c(C)cc(F)cc12.
What is the InChIKey of 4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide?
The InChIKey is BIYKCBFLXJCAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-4-23-15-10-14(17(21)19-6-5-7-22-3)20-16-11(2)8-12(18)9-13(15)16/h8-10H,4-7H2,1-3H3,(H,19,21).
What are the key properties of 4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide?
4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide is sourced from PubChem (CID 50844702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).