2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide

C20H16N4O — CID 51205597

IUPAC2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cccc4ncccc34)cc2nc1C
InChIInChI=1S/C20H16N4O/c1-12-13(2)23-19-11-14(8-9-18(19)22-12)20(25)24-17-7-3-6-16-15(17)5-4-10-21-16/h3-11H,1-2H3,(H,24,25)
InChIKeyKYTGYFIBKXNQTR-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.05
Rot. Bonds2

About 2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide

2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide (PubChem CID 51205597) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
PubChem CID51205597
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cccc4ncccc34)cc2nc1C
InChIInChI=1S/C20H16N4O/c1-12-13(2)23-19-11-14(8-9-18(19)22-12)20(25)24-17-7-3-6-16-15(17)5-4-10-21-16/h3-11H,1-2H3,(H,24,25)
InChIKeyKYTGYFIBKXNQTR-UHFFFAOYSA-N
XLogP4.05
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
4-methylsulfinyl-N-quinolin-5-ylbenzamide
CID 51182481
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797
4-(diethylamino)-N-quinolin-5-ylbenzamide
CID 112767915
4-butoxy-N-quinolin-5-ylbenzamide
CID 3982301
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide
CID 146080713
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide (CID 51205597) is 2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)Nc3cccc4ncccc34)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide?
The InChIKey is KYTGYFIBKXNQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-12-13(2)23-19-11-14(8-9-18(19)22-12)20(25)24-17-7-3-6-16-15(17)5-4-10-21-16/h3-11H,1-2H3,(H,24,25).
What are the key properties of 2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide?
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 51205597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).