N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C20H20N4O2 — CID 110744697

IUPACN-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCN1CCc2ccc(NC(=O)CCc3nc4ccccc4[nH]c3=O)cc21
InChIInChI=1S/C20H20N4O2/c1-24-11-10-13-6-7-14(12-18(13)24)21-19(25)9-8-17-20(26)23-16-5-3-2-4-15(16)22-17/h2-7,12H,8-11H2,1H3,(H,21,25)(H,23,26)
InChIKeyYFGTYPJBPJDJFG-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.49
Rot. Bonds4

About N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 110744697) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID110744697
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCN1CCc2ccc(NC(=O)CCc3nc4ccccc4[nH]c3=O)cc21
InChIInChI=1S/C20H20N4O2/c1-24-11-10-13-6-7-14(12-18(13)24)21-19(25)9-8-17-20(26)23-16-5-3-2-4-15(16)22-17/h2-7,12H,8-11H2,1H3,(H,21,25)(H,23,26)
InChIKeyYFGTYPJBPJDJFG-UHFFFAOYSA-N
XLogP2.49
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 108727285
N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164738
N-(4-cyclohexylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164724
N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164657
3-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)propanamide
CID 110729242
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
3-[3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110741171
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 110744697) is N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is CN1CCc2ccc(NC(=O)CCc3nc4ccccc4[nH]c3=O)cc21.
What is the InChIKey of N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is YFGTYPJBPJDJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24-11-10-13-6-7-14(12-18(13)24)21-19(25)9-8-17-20(26)23-16-5-3-2-4-15(16)22-17/h2-7,12H,8-11H2,1H3,(H,21,25)(H,23,26).
What are the key properties of N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 348.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 110744697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).