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

C17H16FN3O3 — CID 34952145

IUPAC(4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCOc1ncccc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C17H16FN3O3/c1-2-24-17-13(4-3-7-19-17)21-16(23)12-9-15(22)20-14-8-10(18)5-6-11(12)14/h3-8,12H,2,9H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyBDOSYIAYSJXTIT-GFCCVEGCSA-N
MW329.33 g/mol
LogP2.68
Rot. Bonds4

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

(4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 34952145) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is (4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID34952145
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name(4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCOc1ncccc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C17H16FN3O3/c1-2-24-17-13(4-3-7-19-17)21-16(23)12-9-15(22)20-14-8-10(18)5-6-11(12)14/h3-8,12H,2,9H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyBDOSYIAYSJXTIT-GFCCVEGCSA-N
XLogP2.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154862858
7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154878580
(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95133953
N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86929203
(4S)-7-fluoro-N-(4-methyl-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41492301
N-(2,2-dimethyl-4-oxo-3H-chromen-8-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154850187
7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86920168
N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46698498
(4S)-7-fluoro-2-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94023245
methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate
CID 46535404
(4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94007045

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 34952145) is (4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCOc1ncccc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of (4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is BDOSYIAYSJXTIT-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-2-24-17-13(4-3-7-19-17)21-16(23)12-9-15(22)20-14-8-10(18)5-6-11(12)14/h3-8,12H,2,9H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1.
What are the key properties of (4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 34952145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).