N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide

C22H24N4O2 — CID 74235313

IUPACN-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCC(CN1CCc2ccccc2C1)NC(=O)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C22H24N4O2/c1-15(13-26-12-11-16-7-3-4-8-17(16)14-26)23-21(27)20-22(28)25(2)19-10-6-5-9-18(19)24-20/h3-10,15H,11-14H2,1-2H3,(H,23,27)
InChIKeyFTXLSHYBYHUDOL-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.11
Rot. Bonds4

About N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide

N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 74235313) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
PubChem CID74235313
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCC(CN1CCc2ccccc2C1)NC(=O)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C22H24N4O2/c1-15(13-26-12-11-16-7-3-4-8-17(16)14-26)23-21(27)20-22(28)25(2)19-10-6-5-9-18(19)24-20/h3-10,15H,11-14H2,1-2H3,(H,23,27)
InChIKeyFTXLSHYBYHUDOL-UHFFFAOYSA-N
XLogP2.11
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide with MolForge

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Related Compounds

4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide
CID 92877606
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2H-triazole-4-carboxamide
CID 95707705
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 50964315
N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 50808151
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 97112518
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 70746163
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 97131820
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-8-fluoroquinoline-2-carboxamide
CID 97117742
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95716732
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 155913072
N-butan-2-yl-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53016720
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 125170468

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide (CID 74235313) is N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide is CC(CN1CCc2ccccc2C1)NC(=O)c1nc2ccccc2n(C)c1=O.
What is the InChIKey of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is FTXLSHYBYHUDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(13-26-12-11-16-7-3-4-8-17(16)14-26)23-21(27)20-22(28)25(2)19-10-6-5-9-18(19)24-20/h3-10,15H,11-14H2,1-2H3,(H,23,27).
What are the key properties of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 74235313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).