(4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide

C21H20N4O3 — CID 95883105

IUPAC(4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide
SMILESCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C21H20N4O3/c1-24(13-18-22-20(23-28-18)14-8-4-3-5-9-14)21(27)16-12-19(26)25(2)17-11-7-6-10-15(16)17/h3-11,16H,12-13H2,1-2H3/t16-/m1/s1
InChIKeyJCYLNVSRXQPIOT-MRXNPFEDSA-N
MW376.42 g/mol
LogP2.85
Rot. Bonds4

About (4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide

(4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide (PubChem CID 95883105) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is (4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide
PubChem CID95883105
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name(4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide
SMILESCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C21H20N4O3/c1-24(13-18-22-20(23-28-18)14-8-4-3-5-9-14)21(27)16-12-19(26)25(2)17-11-7-6-10-15(16)17/h3-11,16H,12-13H2,1-2H3/t16-/m1/s1
InChIKeyJCYLNVSRXQPIOT-MRXNPFEDSA-N
XLogP2.85
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-5-[[methyl-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125152313
N-methyl-1-methylsulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50945556
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide
CID 8875016
3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 46982575
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
1-(dimethylsulfamoyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 132663033
N,3,4-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6462643
N-methyl-2-(4-methylphenyl)sulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50874866
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706328
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56883814
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
CID 17275261
N-methyl-2-morpholin-4-yl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carboxamide
CID 70704279

Frequently Asked Questions

What is the IUPAC name of (4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide?
The IUPAC name of (4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide (CID 95883105) is (4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide.
What is the SMILES notation for (4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide?
The canonical SMILES for (4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide is CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CC(=O)N(C)c2ccccc21.
What is the InChIKey of (4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide?
The InChIKey is JCYLNVSRXQPIOT-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-24(13-18-22-20(23-28-18)14-8-4-3-5-9-14)21(27)16-12-19(26)25(2)17-11-7-6-10-15(16)17/h3-11,16H,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide?
(4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 95883105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).