N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride

C22H21ClN4O3 — CID 171667543

IUPACN-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride
SMILESCc1ccc2cccc(NC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)c2n1.Cl
InChIInChI=1S/C22H20N4O3.ClH/c1-14-9-10-15-5-4-7-17(22(15)23-14)25-19(27)11-12-21(29)26-13-20(28)24-16-6-2-3-8-18(16)26;/h2-10H,11-13H2,1H3,(H,24,28)(H,25,27);1H
InChIKeyFYXWBCYPNBJFBP-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.67
Rot. Bonds4

About N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride

N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride (PubChem CID 171667543) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride
PubChem CID171667543
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC NameN-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride
SMILESCc1ccc2cccc(NC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)c2n1.Cl
InChIInChI=1S/C22H20N4O3.ClH/c1-14-9-10-15-5-4-7-17(22(15)23-14)25-19(27)11-12-21(29)26-13-20(28)24-16-6-2-3-8-18(16)26;/h2-10H,11-13H2,1H3,(H,24,28)(H,25,27);1H
InChIKeyFYXWBCYPNBJFBP-UHFFFAOYSA-N
XLogP3.67
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride?
The IUPAC name of N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride (CID 171667543) is N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride?
The canonical SMILES for N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride is Cc1ccc2cccc(NC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)c2n1.Cl.
What is the InChIKey of N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride?
The InChIKey is FYXWBCYPNBJFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3.ClH/c1-14-9-10-15-5-4-7-17(22(15)23-14)25-19(27)11-12-21(29)26-13-20(28)24-16-6-2-3-8-18(16)26;/h2-10H,11-13H2,1H3,(H,24,28)(H,25,27);1H.
What are the key properties of N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride?
N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride has a molecular weight of 424.89 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride is sourced from PubChem (CID 171667543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).