7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide

C18H15FN2O4 — CID 110632933

IUPAC7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide
SMILESO=C(NOCCOc1ccccc1)c1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C18H15FN2O4/c19-13-7-6-12-10-15(17(22)20-16(12)11-13)18(23)21-25-9-8-24-14-4-2-1-3-5-14/h1-7,10-11H,8-9H2,(H,20,22)(H,21,23)
InChIKeyKZEXNEQMKXXKNM-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.41
Rot. Bonds6

About 7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide

7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide (PubChem CID 110632933) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide
PubChem CID110632933
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide
SMILESO=C(NOCCOc1ccccc1)c1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C18H15FN2O4/c19-13-7-6-12-10-15(17(22)20-16(12)11-13)18(23)21-25-9-8-24-14-4-2-1-3-5-14/h1-7,10-11H,8-9H2,(H,20,22)(H,21,23)
InChIKeyKZEXNEQMKXXKNM-UHFFFAOYSA-N
XLogP2.41
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110607516
N-(cyclopentylmethyl)-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110627525
ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 110426635
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55728032
4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide
CID 110311296
N-(2-phenoxyethoxy)furan-2-carboxamide
CID 110294654
4-methoxy-N-(2-phenoxyethoxy)benzamide
CID 110294662
2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate
CID 7713495
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
2,4-difluoro-N-(2-phenoxyethyl)benzamide
CID 26676947
2-(2-phenoxyethoxyamino)prop-2-enoic acid
CID 56625837
6-fluoro-N-(2-phenoxyphenyl)-1H-indole-2-carboxamide
CID 113207503

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide (CID 110632933) is 7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide is O=C(NOCCOc1ccccc1)c1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of 7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide?
The InChIKey is KZEXNEQMKXXKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c19-13-7-6-12-10-15(17(22)20-16(12)11-13)18(23)21-25-9-8-24-14-4-2-1-3-5-14/h1-7,10-11H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of 7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide?
7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110632933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).