N-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide

C27H27N5O2S — CID 42485573

IUPACN-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCc1nc2ccc(C(=O)N3CCc4c(cnc(C)c4CNC(=O)Cc4ccsc4)C3)cc2nc1C
InChIInChI=1S/C27H27N5O2S/c1-16-17(2)31-25-11-20(4-5-24(25)30-16)27(34)32-8-6-22-21(14-32)12-28-18(3)23(22)13-29-26(33)10-19-7-9-35-15-19/h4-5,7,9,11-12,15H,6,8,10,13-14H2,1-3H3,(H,29,33)
InChIKeyYOJPHPJWELDINT-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.07
Rot. Bonds5

About N-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide

N-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 42485573) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID42485573
Molecular FormulaC27H27N5O2S
Molecular Weight485.61 g/mol
Exact Mass485.19
IUPAC NameN-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCc1nc2ccc(C(=O)N3CCc4c(cnc(C)c4CNC(=O)Cc4ccsc4)C3)cc2nc1C
InChIInChI=1S/C27H27N5O2S/c1-16-17(2)31-25-11-20(4-5-24(25)30-16)27(34)32-8-6-22-21(14-32)12-28-18(3)23(22)13-29-26(33)10-19-7-9-35-15-19/h4-5,7,9,11-12,15H,6,8,10,13-14H2,1-3H3,(H,29,33)
InChIKeyYOJPHPJWELDINT-UHFFFAOYSA-N
XLogP4.07
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide (CID 42485573) is N-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide is Cc1nc2ccc(C(=O)N3CCc4c(cnc(C)c4CNC(=O)Cc4ccsc4)C3)cc2nc1C.
What is the InChIKey of N-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is YOJPHPJWELDINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c1-16-17(2)31-25-11-20(4-5-24(25)30-16)27(34)32-8-6-22-21(14-32)12-28-18(3)23(22)13-29-26(33)10-19-7-9-35-15-19/h4-5,7,9,11-12,15H,6,8,10,13-14H2,1-3H3,(H,29,33).
What are the key properties of N-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 485.61 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2,3-dimethylquinoxaline-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 42485573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).