N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C18H17FN2O4 — CID 154862858

IUPACN-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCOc1cc(O)ccc1NC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C18H17FN2O4/c1-2-25-16-8-11(22)4-6-14(16)21-18(24)13-9-17(23)20-15-7-10(19)3-5-12(13)15/h3-8,13,22H,2,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyDRVOVVCEVLHSMR-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.99
Rot. Bonds4

About N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 154862858) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID154862858
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC NameN-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCOc1cc(O)ccc1NC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C18H17FN2O4/c1-2-25-16-8-11(22)4-6-14(16)21-18(24)13-9-17(23)20-15-7-10(19)3-5-12(13)15/h3-8,13,22H,2,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyDRVOVVCEVLHSMR-UHFFFAOYSA-N
XLogP2.99
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 34952145
7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154878580
N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46698498
7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
(4R)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26115790
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42934404
methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate
CID 46535404
(4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 25496338
7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 131950953
7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86920168
N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86929203
7-fluoro-N-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 146127538

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 154862858) is N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCOc1cc(O)ccc1NC(=O)C1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is DRVOVVCEVLHSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-2-25-16-8-11(22)4-6-14(16)21-18(24)13-9-17(23)20-15-7-10(19)3-5-12(13)15/h3-8,13,22H,2,9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 154862858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).