(4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C20H18N4O4 — CID 126441518

IUPAC(4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cccc2c1NC(=O)C[C@H]2C(=O)NCc1ccc(-c2ncon2)cc1
InChIInChI=1S/C20H18N4O4/c1-27-16-4-2-3-14-15(9-17(25)23-18(14)16)20(26)21-10-12-5-7-13(8-6-12)19-22-11-28-24-19/h2-8,11,15H,9-10H2,1H3,(H,21,26)(H,23,25)/t15-/m1/s1
InChIKeyGLJPLENUQCISHN-OAHLLOKOSA-N
MW378.39 g/mol
LogP2.49
Rot. Bonds5

About (4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 126441518) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is (4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID126441518
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name(4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cccc2c1NC(=O)C[C@H]2C(=O)NCc1ccc(-c2ncon2)cc1
InChIInChI=1S/C20H18N4O4/c1-27-16-4-2-3-14-15(9-17(25)23-18(14)16)20(26)21-10-12-5-7-13(8-6-12)19-22-11-28-24-19/h2-8,11,15H,9-10H2,1H3,(H,21,26)(H,23,25)/t15-/m1/s1
InChIKeyGLJPLENUQCISHN-OAHLLOKOSA-N
XLogP2.49
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 126450360
N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42884361
(3S)-1-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 125163304
(4S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94017875
(4R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94022869
8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
CID 154888859
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 47731927
2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide
CID 146097067
8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 163316839
formic acid;4-methoxy-4-methyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pentan-2-amine
CID 154907219
1-morpholin-4-yl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 118791034
7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42935967

Frequently Asked Questions

What is the IUPAC name of (4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 126441518) is (4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is COc1cccc2c1NC(=O)C[C@H]2C(=O)NCc1ccc(-c2ncon2)cc1.
What is the InChIKey of (4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is GLJPLENUQCISHN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-27-16-4-2-3-14-15(9-17(25)23-18(14)16)20(26)21-10-12-5-7-13(8-6-12)19-22-11-28-24-19/h2-8,11,15H,9-10H2,1H3,(H,21,26)(H,23,25)/t15-/m1/s1.
What are the key properties of (4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 126441518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).