N-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxamide - CAS 306728-29-0
Catalog: |
BB020673 |
Product Name: |
N-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
CAS: |
306728-29-0 |
Synonyms: |
4-oxo-N-(phenylmethyl)-1H-quinoline-3-carboxamide; N-benzyl-4-oxo-1H-quinoline-3-carboxamide |
IUPAC Name: | N-benzyl-4-oxo-1H-quinoline-3-carboxamide |
Description: | N-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxamide (CAS# 306728-29-0 ) is a useful research chemical. |
Molecular Weight: | 278.31 |
Molecular Formula: | C17H14N2O2 |
Canonical SMILES: | C1=CC=C(C=C1)CNC(=O)C2=CNC3=CC=CC=C3C2=O |
InChI: | InChI=1S/C17H14N2O2/c20-16-13-8-4-5-9-15(13)18-11-14(16)17(21)19-10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,20)(H,19,21) |
InChI Key: | XPTSXSCBRKJJJA-UHFFFAOYSA-N |
Solubility: | 39.3 [ug/mL] (The mean of the results at pH 7.4) |
Publication Number | Title | Priority Date |
US-10336703-B2 | Process for the synthesis of ivacaftor and related compounds | 20150512 |
US-2018127373-A1 | Process for the synthesis of ivacaftor and related compounds | 20150512 |
CA-2371472-A1 | Substituted 4-oxo-quinoline-3-carboxamides: gaba brain receptor ligands | 19990506 |
DE-60018274-T2 | SUBSTITUTED 4-OXO-CHINOLINE-3-CARBOXAMIDES AS GABA BRAIN RECEPTOR LIGANDS | 19990506 |
EP-1177177-A1 | Substituted 4-oxo-quinoline-3-carboxamides: gaba brain receptor ligands | 19990506 |
Complexity: | 438 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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