N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

C25H23N3O2 — CID 166821911

IUPACN-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCc1ccccc1C1NC(=O)c2cccc(NC(=O)N3CCCc4ccccc43)c21
InChIInChI=1S/C25H23N3O2/c1-16-8-2-4-11-18(16)23-22-19(24(29)27-23)12-6-13-20(22)26-25(30)28-15-7-10-17-9-3-5-14-21(17)28/h2-6,8-9,11-14,23H,7,10,15H2,1H3,(H,26,30)(H,27,29)
InChIKeyRKBROCQCRLAYFY-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.81
Rot. Bonds2

About N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 166821911) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID166821911
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCc1ccccc1C1NC(=O)c2cccc(NC(=O)N3CCCc4ccccc43)c21
InChIInChI=1S/C25H23N3O2/c1-16-8-2-4-11-18(16)23-22-19(24(29)27-23)12-6-13-20(22)26-25(30)28-15-7-10-17-9-3-5-14-21(17)28/h2-6,8-9,11-14,23H,7,10,15H2,1H3,(H,26,30)(H,27,29)
InChIKeyRKBROCQCRLAYFY-UHFFFAOYSA-N
XLogP4.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide with MolForge

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Related Compounds

N-[(5R)-5-(2-methylphenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 176620042
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid
CID 21186078
3-bromo-5-fluoro-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]benzamide
CID 166821596
N-[6-bromo-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-2,3-dihydroindole-1-carboxamide
CID 166821699
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9440585
3-fluoro-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-(oxetan-3-yl)benzamide
CID 176619596
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
N-(2-ethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6468642
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110866329
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 166821911) is N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide is Cc1ccccc1C1NC(=O)c2cccc(NC(=O)N3CCCc4ccccc43)c21.
What is the InChIKey of N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is RKBROCQCRLAYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16-8-2-4-11-18(16)23-22-19(24(29)27-23)12-6-13-20(22)26-25(30)28-15-7-10-17-9-3-5-14-21(17)28/h2-6,8-9,11-14,23H,7,10,15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 166821911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).