N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide

C18H17ClN4O2 — CID 50780056

IUPACN-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H17ClN4O2/c1-4-25-18-16(17(24)23-15-6-5-12(19)9-20-15)21-13-7-10(2)11(3)8-14(13)22-18/h5-9H,4H2,1-3H3,(H,20,23,24)
InChIKeyHBYIQFRWXKVGBC-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.95
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide (PubChem CID 50780056) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
PubChem CID50780056
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H17ClN4O2/c1-4-25-18-16(17(24)23-15-6-5-12(19)9-20-15)21-13-7-10(2)11(3)8-14(13)22-18/h5-9H,4H2,1-3H3,(H,20,23,24)
InChIKeyHBYIQFRWXKVGBC-UHFFFAOYSA-N
XLogP3.95
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
CID 50779971
N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide
CID 50780737
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779957
[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate
CID 69365456
N-(5-chloro-2-pyridinyl)-2-(ethylamino)-5-methylbenzamide
CID 62508806
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
CID 63210683
N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
CID 34135089
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide (CID 50780056) is N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide is CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide?
The InChIKey is HBYIQFRWXKVGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-4-25-18-16(17(24)23-15-6-5-12(19)9-20-15)21-13-7-10(2)11(3)8-14(13)22-18/h5-9H,4H2,1-3H3,(H,20,23,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide is sourced from PubChem (CID 50780056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).