(14Z)-11-(2,5-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 6535977

IUPAC(14Z)-11-(2,5-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
SMILESCOc1ccc(OC)c(C2C3=C(N=c4s/c(=C\c5cccc(O)c5)c(=O)n42)c2ccccc2CC3)c1
InChIInChI=1S/C29H24N2O4S/c1-34-20-11-13-24(35-2)23(16-20)27-22-12-10-18-7-3-4-9-21(18)26(22)30-29-31(27)28(33)25(36-29)15-17-6-5-8-19(32)14-17/h3-9,11,13-16,27,32H,10,12H2,1-2H3/b25-15-
InChIKeyCLHCQUDCQDMFRG-MYYYXRDXSA-N
MW496.59 g/mol
LogP4.04
Rot. Bonds4

About (14Z)-11-(2,5-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-(2,5-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 6535977) has the molecular formula C29H24N2O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is (14Z)-11-(2,5-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-(2,5-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 CID6535977
Molecular FormulaC29H24N2O4S
Molecular Weight496.59 g/mol
Exact Mass496.15
IUPAC Name(14Z)-11-(2,5-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
SMILESCOc1ccc(OC)c(C2C3=C(N=c4s/c(=C\c5cccc(O)c5)c(=O)n42)c2ccccc2CC3)c1
InChIInChI=1S/C29H24N2O4S/c1-34-20-11-13-24(35-2)23(16-20)27-22-12-10-18-7-3-4-9-21(18)26(22)30-29-31(27)28(33)25(36-29)15-17-6-5-8-19(32)14-17/h3-9,11,13-16,27,32H,10,12H2,1-2H3/b25-15-
InChIKeyCLHCQUDCQDMFRG-MYYYXRDXSA-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-(2,5-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-(2,3-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 6511067
7-(2,5-dimethoxyphenyl)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one
CID 2926561
ethyl 2-[(2-hydroxyphenyl)methylidene]-5-(4-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3978205
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
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
7-(2,3-dimethoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
CID 2930149
{4-[7-(3-Methoxy-phenyl)-8-oxo-5,7-dihydro-6H-10-thia-7a,11-diaza-cyclopenta[b]phenanthren-(9Z)-ylid enemethyl]-phenoxy}-acetic acid
CID 6515607
(Z)-2-(3-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]thiazolo[2,3-b]-quinazolin-10(6H,7H,9H)-ylidene)methyl)phenoxy)acetic Acid
CID 6535736
2-[2-[(Z)-[11-(2-methoxyphenyl)-13-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene]methyl]phenoxy]acetic acid
CID 46222879

Frequently Asked Questions

What is the IUPAC name of (14Z)-11-(2,5-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-(2,5-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 6535977) is (14Z)-11-(2,5-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-(2,5-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-(2,5-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 COc1ccc(OC)c(C2C3=C(N=c4s/c(=C\c5cccc(O)c5)c(=O)n42)c2ccccc2CC3)c1.
What is the InChIKey of (14Z)-11-(2,5-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 CLHCQUDCQDMFRG-MYYYXRDXSA-N. The full InChI is InChI=1S/C29H24N2O4S/c1-34-20-11-13-24(35-2)23(16-20)27-22-12-10-18-7-3-4-9-21(18)26(22)30-29-31(27)28(33)25(36-29)15-17-6-5-8-19(32)14-17/h3-9,11,13-16,27,32H,10,12H2,1-2H3/b25-15-.
What are the key properties of (14Z)-11-(2,5-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-(2,5-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-(2,5-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 6535977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).