16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one

C18H13NO4 — CID 134937804

IUPAC16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one
SMILESCOc1ccc2c(c1)-c1c(O)c(OC)cc3ccnc(c13)C2=O
InChIInChI=1S/C18H13NO4/c1-22-10-3-4-11-12(8-10)15-14-9(7-13(23-2)18(15)21)5-6-19-16(14)17(11)20/h3-8,21H,1-2H3
InChIKeyKNKDCGZKAGHFAR-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.17
Rot. Bonds2

About 16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one

16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one (PubChem CID 134937804) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one.

Molecular Properties

Compound Name16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one
PubChem CID134937804
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one
SMILESCOc1ccc2c(c1)-c1c(O)c(OC)cc3ccnc(c13)C2=O
InChIInChI=1S/C18H13NO4/c1-22-10-3-4-11-12(8-10)15-14-9(7-13(23-2)18(15)21)5-6-19-16(14)17(11)20/h3-8,21H,1-2H3
InChIKeyKNKDCGZKAGHFAR-UHFFFAOYSA-N
XLogP3.17
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one with MolForge

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Related Compounds

4-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 10563407
11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
CID 15634400
2-(2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylic acid
CID 102275828
2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
CID 82488923
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901463
4-(9-hydroxynonoxy)-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 170898317
4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide
CID 116904018
7-methoxyisoquinoline-1-sulfonamide
CID 106541871
1-hydroxy-7-methoxyanthracene-9,10-dione
CID 10515079
2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
CID 24762424

Frequently Asked Questions

What is the IUPAC name of 16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one?
The IUPAC name of 16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one (CID 134937804) is 16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one.
What is the SMILES notation for 16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one?
The canonical SMILES for 16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one is COc1ccc2c(c1)-c1c(O)c(OC)cc3ccnc(c13)C2=O.
What is the InChIKey of 16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one?
The InChIKey is KNKDCGZKAGHFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-22-10-3-4-11-12(8-10)15-14-9(7-13(23-2)18(15)21)5-6-19-16(14)17(11)20/h3-8,21H,1-2H3.
What are the key properties of 16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one?
16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one has a molecular weight of 307.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one is sourced from PubChem (CID 134937804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).