9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol

C24H25N3O3S — CID 11690635

IUPAC9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCCOc1cc2c(cc1OC)C(c1ccc(-c3csnn3)cc1)=NC1CCC(O)CC21
InChIInChI=1S/C24H25N3O3S/c1-3-30-23-11-17-18-10-16(28)8-9-20(18)25-24(19(17)12-22(23)29-2)15-6-4-14(5-7-15)21-13-31-27-26-21/h4-7,11-13,16,18,20,28H,3,8-10H2,1-2H3
InChIKeyFDVVXXBXBSGMGG-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.46
Rot. Bonds5

About 9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol

9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (PubChem CID 11690635) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.

Molecular Properties

Compound Name9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
PubChem CID11690635
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCCOc1cc2c(cc1OC)C(c1ccc(-c3csnn3)cc1)=NC1CCC(O)CC21
InChIInChI=1S/C24H25N3O3S/c1-3-30-23-11-17-18-10-16(28)8-9-20(18)25-24(19(17)12-22(23)29-2)15-6-4-14(5-7-15)21-13-31-27-26-21/h4-7,11-13,16,18,20,28H,3,8-10H2,1-2H3
InChIKeyFDVVXXBXBSGMGG-UHFFFAOYSA-N
XLogP4.46
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The IUPAC name of 9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (CID 11690635) is 9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.
What is the SMILES notation for 9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The canonical SMILES for 9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is CCOc1cc2c(cc1OC)C(c1ccc(-c3csnn3)cc1)=NC1CCC(O)CC21.
What is the InChIKey of 9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The InChIKey is FDVVXXBXBSGMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-3-30-23-11-17-18-10-16(28)8-9-20(18)25-24(19(17)12-22(23)29-2)15-6-4-14(5-7-15)21-13-31-27-26-21/h4-7,11-13,16,18,20,28H,3,8-10H2,1-2H3.
What are the key properties of 9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol has a molecular weight of 435.55 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is sourced from PubChem (CID 11690635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).