3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione

C25H20ClN3O4S — CID 145112347

IUPAC3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione
SMILESCOc1ccc(OC)c(-n2c3c(cc(-c4nc(-c5ccc(Cl)cc5)cs4)c2=O)C(=O)CNC3)c1
InChIInChI=1S/C25H20ClN3O4S/c1-32-16-7-8-23(33-2)20(9-16)29-21-11-27-12-22(30)17(21)10-18(25(29)31)24-28-19(13-34-24)14-3-5-15(26)6-4-14/h3-10,13,27H,11-12H2,1-2H3
InChIKeyBIDSDGMJTGSMSB-UHFFFAOYSA-N
MW493.97 g/mol
LogP4.58
Rot. Bonds5

About 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione (PubChem CID 145112347) has the molecular formula C25H20ClN3O4S and a molecular weight of 493.97 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione
PubChem CID145112347
Molecular FormulaC25H20ClN3O4S
Molecular Weight493.97 g/mol
Exact Mass493.09
IUPAC Name3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione
SMILESCOc1ccc(OC)c(-n2c3c(cc(-c4nc(-c5ccc(Cl)cc5)cs4)c2=O)C(=O)CNC3)c1
InChIInChI=1S/C25H20ClN3O4S/c1-32-16-7-8-23(33-2)20(9-16)29-21-11-27-12-22(30)17(21)10-18(25(29)31)24-28-19(13-34-24)14-3-5-15(26)6-4-14/h3-10,13,27H,11-12H2,1-2H3
InChIKeyBIDSDGMJTGSMSB-UHFFFAOYSA-N
XLogP4.58
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione?
The IUPAC name of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione (CID 145112347) is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione?
The canonical SMILES for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione is COc1ccc(OC)c(-n2c3c(cc(-c4nc(-c5ccc(Cl)cc5)cs4)c2=O)C(=O)CNC3)c1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione?
The InChIKey is BIDSDGMJTGSMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O4S/c1-32-16-7-8-23(33-2)20(9-16)29-21-11-27-12-22(30)17(21)10-18(25(29)31)24-28-19(13-34-24)14-3-5-15(26)6-4-14/h3-10,13,27H,11-12H2,1-2H3.
What are the key properties of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione?
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione has a molecular weight of 493.97 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,8-dihydro-6H-1,7-naphthyridine-2,5-dione is sourced from PubChem (CID 145112347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).