(14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

C29H24N2O4S — CID 6511067

IUPAC(14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
SMILESCOc1cccc(C2C3=C(N=c4s/c(=C\c5cccc(O)c5)c(=O)n42)c2ccccc2CC3)c1OC
InChIInChI=1S/C29H24N2O4S/c1-34-23-12-6-11-22(27(23)35-2)26-21-14-13-18-8-3-4-10-20(18)25(21)30-29-31(26)28(33)24(36-29)16-17-7-5-9-19(32)15-17/h3-12,15-16,26,32H,13-14H2,1-2H3/b24-16-
InChIKeyNSORTSDKYXPARM-JLPGSUDCSA-N
MW496.59 g/mol
LogP4.04
Rot. Bonds4

About (14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

(14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one (PubChem CID 6511067) has the molecular formula C29H24N2O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is (14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one.

Molecular Properties

Compound Name(14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
PubChem CID6511067
Molecular FormulaC29H24N2O4S
Molecular Weight496.59 g/mol
Exact Mass496.15
IUPAC Name(14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
SMILESCOc1cccc(C2C3=C(N=c4s/c(=C\c5cccc(O)c5)c(=O)n42)c2ccccc2CC3)c1OC
InChIInChI=1S/C29H24N2O4S/c1-34-23-12-6-11-22(27(23)35-2)26-21-14-13-18-8-3-4-10-20(18)25(21)30-29-31(26)28(33)24(36-29)16-17-7-5-9-19(32)15-17/h3-12,15-16,26,32H,13-14H2,1-2H3/b24-16-
InChIKeyNSORTSDKYXPARM-JLPGSUDCSA-N
XLogP4.04
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2,5-Dimethoxy-phenyl)-9-[1-(3-hydroxy-phenyl)-meth-(Z)-ylidene]-5,7-dihydro-6H-10-thia-7a,11-diaza-cyclopenta[b]phenanthren-8-one
CID 6535977
7-(3,4-dimethoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
CID 661176
7-(2,5-dimethoxyphenyl)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one
CID 2926561
ethyl 2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3396771
10-(3-hydroxy-4-methoxybenzylidene)-7-(2-methoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
CID 5736224
{3-[(7-(2-methoxyphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene)methyl]phenoxy}acetic acid
CID 6292691
ethyl 5-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 24020278
7-(2,3-Dimethoxy-phenyl)-9-[1-(4-hydroxy-phenyl)-meth-(Z)-ylidene]-5,7-dihydro-6H-10-thia-7a,11-diaza-cyclopenta[b]phenanthren-8-one
CID 6519644
(Z)-4-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]thiazolo[2,3-b]-quinazolin-10(6H,7H,9H)-ylidene)methyl)benzoic Acid
CID 6519796
7-(2-methoxyphenyl)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one
CID 661335
3-Benzyl-2-(benzylimino)-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one
CID 1238599
ethyl (2E,5R)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 1745063

Frequently Asked Questions

What is the IUPAC name of (14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one?
The IUPAC name of (14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one (CID 6511067) is (14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one.
What is the SMILES notation for (14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one?
The canonical SMILES for (14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is COc1cccc(C2C3=C(N=c4s/c(=C\c5cccc(O)c5)c(=O)n42)c2ccccc2CC3)c1OC.
What is the InChIKey of (14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one?
The InChIKey is NSORTSDKYXPARM-JLPGSUDCSA-N. The full InChI is InChI=1S/C29H24N2O4S/c1-34-23-12-6-11-22(27(23)35-2)26-21-14-13-18-8-3-4-10-20(18)25(21)30-29-31(26)28(33)24(36-29)16-17-7-5-9-19(32)15-17/h3-12,15-16,26,32H,13-14H2,1-2H3/b24-16-.
What are the key properties of (14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one?
(14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one has a molecular weight of 496.59 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (14Z)-11-(2,3-dimethoxyphenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is sourced from PubChem (CID 6511067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).