(E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide

C26H23N5O2S — CID 42276787

IUPAC(E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)c1ccc3nccnc3c1)C2
InChIInChI=1S/C26H23N5O2S/c1-17-22(15-30-25(32)7-5-20-3-2-12-34-20)21-8-11-31(16-19(21)14-29-17)26(33)18-4-6-23-24(13-18)28-10-9-27-23/h2-7,9-10,12-14H,8,11,15-16H2,1H3,(H,30,32)/b7-5+
InChIKeyZNYPBFKVYGXRIM-FNORWQNLSA-N
MW469.57 g/mol
LogP3.92
Rot. Bonds5

About (E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 42276787) has the molecular formula C26H23N5O2S and a molecular weight of 469.57 g/mol. Its IUPAC name is (E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID42276787
Molecular FormulaC26H23N5O2S
Molecular Weight469.57 g/mol
Exact Mass469.16
IUPAC Name(E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)c1ccc3nccnc3c1)C2
InChIInChI=1S/C26H23N5O2S/c1-17-22(15-30-25(32)7-5-20-3-2-12-34-20)21-8-11-31(16-19(21)14-29-17)26(33)18-4-6-23-24(13-18)28-10-9-27-23/h2-7,9-10,12-14H,8,11,15-16H2,1H3,(H,30,32)/b7-5+
InChIKeyZNYPBFKVYGXRIM-FNORWQNLSA-N
XLogP3.92
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide with MolForge

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Related Compounds

CID 11393847
CID 11393847
CID 24857909
CID 24857909
CID 44403171
CID 44403171
CID 130319550
CID 130319550
CID 135300353
CID 135300353
CID 135300396
CID 135300396
CID 135300402
CID 135300402
CID 135300410
CID 135300410
CID 153555172
CID 153555172
CID 683655
CID 683655
CID 56602149
CID 56602149
CID 736232
CID 736232

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide (CID 42276787) is (E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide is Cc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)c1ccc3nccnc3c1)C2.
What is the InChIKey of (E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is ZNYPBFKVYGXRIM-FNORWQNLSA-N. The full InChI is InChI=1S/C26H23N5O2S/c1-17-22(15-30-25(32)7-5-20-3-2-12-34-20)21-8-11-31(16-19(21)14-29-17)26(33)18-4-6-23-24(13-18)28-10-9-27-23/h2-7,9-10,12-14H,8,11,15-16H2,1H3,(H,30,32)/b7-5+.
What are the key properties of (E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 469.57 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 42276787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).