2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide

C21H21N3O — CID 71902026

IUPAC2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCc4ccccc4C3)cc2nc1C
InChIInChI=1S/C21H21N3O/c1-13-14(2)23-20-12-17(8-10-19(20)22-13)21(25)24-18-9-7-15-5-3-4-6-16(15)11-18/h3-6,8,10,12,18H,7,9,11H2,1-2H3,(H,24,25)
InChIKeyVGYGLLKRTRCXEL-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.53
Rot. Bonds2

About 2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide

2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide (PubChem CID 71902026) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
PubChem CID71902026
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCc4ccccc4C3)cc2nc1C
InChIInChI=1S/C21H21N3O/c1-13-14(2)23-20-12-17(8-10-19(20)22-13)21(25)24-18-9-7-15-5-3-4-6-16(15)11-18/h3-6,8,10,12,18H,7,9,11H2,1-2H3,(H,24,25)
InChIKeyVGYGLLKRTRCXEL-UHFFFAOYSA-N
XLogP3.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62304579
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
CID 91394335
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
2,4-dimethyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-oxazole-5-carboxamide
CID 124504718
3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62305417
2-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 10199216
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 22318688
4-hydroxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103865106
3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide
CID 68792799
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide (CID 71902026) is 2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NC3CCc4ccccc4C3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide?
The InChIKey is VGYGLLKRTRCXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-13-14(2)23-20-12-17(8-10-19(20)22-13)21(25)24-18-9-7-15-5-3-4-6-16(15)11-18/h3-6,8,10,12,18H,7,9,11H2,1-2H3,(H,24,25).
What are the key properties of 2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide?
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 71902026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).