2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide

C23H24N4O4 — CID 154868758

IUPAC2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
SMILESNC(=O)Cc1cccc2c1CCN(C(=O)CCC(=O)N1CC(=O)Nc3ccccc31)C2
InChIInChI=1S/C23H24N4O4/c24-20(28)12-15-4-3-5-16-13-26(11-10-17(15)16)22(30)8-9-23(31)27-14-21(29)25-18-6-1-2-7-19(18)27/h1-7H,8-14H2,(H2,24,28)(H,25,29)
InChIKeyBAVZNPOYBDCCGZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.36
Rot. Bonds5

About 2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide

2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide (PubChem CID 154868758) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
PubChem CID154868758
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
SMILESNC(=O)Cc1cccc2c1CCN(C(=O)CCC(=O)N1CC(=O)Nc3ccccc31)C2
InChIInChI=1S/C23H24N4O4/c24-20(28)12-15-4-3-5-16-13-26(11-10-17(15)16)22(30)8-9-23(31)27-14-21(29)25-18-6-1-2-7-19(18)27/h1-7H,8-14H2,(H2,24,28)(H,25,29)
InChIKeyBAVZNPOYBDCCGZ-UHFFFAOYSA-N
XLogP1.36
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
CID 60734018
1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 154834759
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
(3S)-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 119173948
2-[2-(2-aminoacetyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetic acid
CID 68878772
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 119519616
4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 51174755
1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione
CID 31952076
3-fluoro-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 119258928
4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 31038718
4-(4-phenylsulfanylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 16863999
1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 7666372

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The IUPAC name of 2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide (CID 154868758) is 2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide.
What is the SMILES notation for 2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The canonical SMILES for 2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide is NC(=O)Cc1cccc2c1CCN(C(=O)CCC(=O)N1CC(=O)Nc3ccccc31)C2.
What is the InChIKey of 2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The InChIKey is BAVZNPOYBDCCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c24-20(28)12-15-4-3-5-16-13-26(11-10-17(15)16)22(30)8-9-23(31)27-14-21(29)25-18-6-1-2-7-19(18)27/h1-7H,8-14H2,(H2,24,28)(H,25,29).
What are the key properties of 2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide is sourced from PubChem (CID 154868758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).