2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C21H20N4O2 — CID 75511775

IUPAC2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCc1nc2ccc(C(=O)N3Cc4ccccc4CC3C(N)=O)cc2nc1C
InChIInChI=1S/C21H20N4O2/c1-12-13(2)24-18-9-15(7-8-17(18)23-12)21(27)25-11-16-6-4-3-5-14(16)10-19(25)20(22)26/h3-9,19H,10-11H2,1-2H3,(H2,22,26)
InChIKeyQJWMWJBMUQDISI-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.30
Rot. Bonds2

About 2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 75511775) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID75511775
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCc1nc2ccc(C(=O)N3Cc4ccccc4CC3C(N)=O)cc2nc1C
InChIInChI=1S/C21H20N4O2/c1-12-13(2)24-18-9-15(7-8-17(18)23-12)21(27)25-11-16-6-4-3-5-14(16)10-19(25)20(22)26/h3-9,19H,10-11H2,1-2H3,(H2,22,26)
InChIKeyQJWMWJBMUQDISI-UHFFFAOYSA-N
XLogP2.30
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 9462728
(3R)-2-(1-methylbenzotriazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124697410
2-(1-methylbenzotriazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195613
(3S)-2-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95044684
(3R)-2-[4-[methyl(phenyl)sulfamoyl]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 25387287
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
CID 71902026
2-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119689884
(3S)-2-(2-methyl-5-methylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94868099
(3R)-2-[3-(dimethylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 67667435
2-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095795
2-[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196071
(3S)-2-(4-amino-1H-pyrazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 63104138

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 75511775) is 2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is Cc1nc2ccc(C(=O)N3Cc4ccccc4CC3C(N)=O)cc2nc1C.
What is the InChIKey of 2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is QJWMWJBMUQDISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-12-13(2)24-18-9-15(7-8-17(18)23-12)21(27)25-11-16-6-4-3-5-14(16)10-19(25)20(22)26/h3-9,19H,10-11H2,1-2H3,(H2,22,26).
What are the key properties of 2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 75511775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).