7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione

C17H13NO4 — CID 54677760

IUPAC7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione
SMILESCC1(C)c2ccccc2-n2c1cc1oc(=O)cc(O)c1c2=O
InChIInChI=1S/C17H13NO4/c1-17(2)9-5-3-4-6-10(9)18-13(17)8-12-15(16(18)21)11(19)7-14(20)22-12/h3-8,19H,1-2H3
InChIKeyFWVULZVPJPVTMT-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.29
Rot. Bonds

About 7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione

7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione (PubChem CID 54677760) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione.

Molecular Properties

Compound Name7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione
PubChem CID54677760
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione
SMILESCC1(C)c2ccccc2-n2c1cc1oc(=O)cc(O)c1c2=O
InChIInChI=1S/C17H13NO4/c1-17(2)9-5-3-4-6-10(9)18-13(17)8-12-15(16(18)21)11(19)7-14(20)22-12/h3-8,19H,1-2H3
InChIKeyFWVULZVPJPVTMT-UHFFFAOYSA-N
XLogP2.29
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione with MolForge

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Related Compounds

8-hydroxy-7,10,10-trimethylpyrido[1,2-a]indol-6(10H)-one
CID 54683261
4-hydroxy-3-methyl-6,7-diphenyl-2H-pyrano[3,2-c]pyridine-2,5(6H)-dione
CID 54708978
7-ethyl-8-hydroxy-10,10-dimethylpyrido[1,2-a]indol-6(10H)-one
CID 54679056
4-hydroxy-6,7-diphenyl-2H-pyrano[3,2-c]pyridine-2,5(6H)-dione
CID 54679722
4-hydroxy-11b-methyl-1,2,3,11b-tetrahydro-6H-pyrido[3,2,1-jk]carbazol-6-one
CID 54698836
4-hydroxy-6-methyl-3-[(E,4E)-4-(1,3,3-trimethylindolin-2-ylidene)but-2-enoyl]pyran-2-one
CID 136169646
13,15-Difluoro-7-hydroxy-17,17-dimethyl-6-[3-(trifluoromethyl)phenyl]sulfanyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
CID 59240746
14-Fluoro-7-hydroxy-6-(4-methylphenyl)sulfanylspiro[4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-17,1'-cyclohexane]-5,9-dione
CID 59240765
14-Fluoro-6-(3-fluorophenyl)sulfanyl-7-hydroxyspiro[4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-17,1'-cyclohexane]-5,9-dione
CID 59240784
13,15-Difluoro-7-hydroxy-17,17-dimethyl-6-phenylsulfanyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
CID 59240802
6-(3-Fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59240803
6-Bromo-14-fluoro-7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
CID 59240805

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione?
The IUPAC name of 7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione (CID 54677760) is 7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione.
What is the SMILES notation for 7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione?
The canonical SMILES for 7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione is CC1(C)c2ccccc2-n2c1cc1oc(=O)cc(O)c1c2=O.
What is the InChIKey of 7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione?
The InChIKey is FWVULZVPJPVTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-17(2)9-5-3-4-6-10(9)18-13(17)8-12-15(16(18)21)11(19)7-14(20)22-12/h3-8,19H,1-2H3.
What are the key properties of 7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione?
7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione has a molecular weight of 295.29 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione is sourced from PubChem (CID 54677760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).