7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C43H27N7O2S2 — CID 155170940

IUPAC7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1cnc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(-c3cc(-c4nc5[nH]ccc(=O)c5cc4-c4ccc5ncccc5c4)sc3C)c3ncccc3c2)s1
InChIInChI=1S/C43H27N7O2S2/c1-22-21-48-43(53-22)40-30(19-33-36(52)10-14-47-42(33)50-40)27-16-26-6-4-12-45-38(26)31(17-27)28-20-37(54-23(28)2)39-29(18-32-35(51)9-13-46-41(32)49-39)24-7-8-34-25(15-24)5-3-11-44-34/h3-21H,1-2H3,(H,46,49,51)(H,47,50,52)
InChIKeyVFBOLCITBZANFP-UHFFFAOYSA-N
MW737.87 g/mol
LogP9.73
Rot. Bonds5

About 7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 155170940) has the molecular formula C43H27N7O2S2 and a molecular weight of 737.87 g/mol. Its IUPAC name is 7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID155170940
Molecular FormulaC43H27N7O2S2
Molecular Weight737.87 g/mol
Exact Mass737.17
IUPAC Name7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1cnc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(-c3cc(-c4nc5[nH]ccc(=O)c5cc4-c4ccc5ncccc5c4)sc3C)c3ncccc3c2)s1
InChIInChI=1S/C43H27N7O2S2/c1-22-21-48-43(53-22)40-30(19-33-36(52)10-14-47-42(33)50-40)27-16-26-6-4-12-45-38(26)31(17-27)28-20-37(54-23(28)2)39-29(18-32-35(51)9-13-46-41(32)49-39)24-7-8-34-25(15-24)5-3-11-44-34/h3-21H,1-2H3,(H,46,49,51)(H,47,50,52)
InChIKeyVFBOLCITBZANFP-UHFFFAOYSA-N
XLogP9.73
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.87
LogP ≤ 59.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 155170940) is 7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is Cc1cnc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(-c3cc(-c4nc5[nH]ccc(=O)c5cc4-c4ccc5ncccc5c4)sc3C)c3ncccc3c2)s1.
What is the InChIKey of 7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is VFBOLCITBZANFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N7O2S2/c1-22-21-48-43(53-22)40-30(19-33-36(52)10-14-47-42(33)50-40)27-16-26-6-4-12-45-38(26)31(17-27)28-20-37(54-23(28)2)39-29(18-32-35(51)9-13-46-41(32)49-39)24-7-8-34-25(15-24)5-3-11-44-34/h3-21H,1-2H3,(H,46,49,51)(H,47,50,52).
What are the key properties of 7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 737.87 g/mol, XLogP of 9.73, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-methyl-4-[6-[2-(5-methyl-1,3-thiazol-2-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-8-yl]thiophen-2-yl]-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).