15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione

C16H13NO3 — CID 46223611

IUPAC15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione
SMILESCC12CCC(=O)N1c1cc3ccccc3cc1C(=O)O2
InChIInChI=1S/C16H13NO3/c1-16-7-6-14(18)17(16)13-9-11-5-3-2-4-10(11)8-12(13)15(19)20-16/h2-5,8-9H,6-7H2,1H3
InChIKeyIBHRSWHDOFETBZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.85
Rot. Bonds

About 15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione

15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione (PubChem CID 46223611) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione.

Molecular Properties

Compound Name15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione
PubChem CID46223611
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione
SMILESCC12CCC(=O)N1c1cc3ccccc3cc1C(=O)O2
InChIInChI=1S/C16H13NO3/c1-16-7-6-14(18)17(16)13-9-11-5-3-2-4-10(11)8-12(13)15(19)20-16/h2-5,8-9H,6-7H2,1H3
InChIKeyIBHRSWHDOFETBZ-UHFFFAOYSA-N
XLogP2.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 51355763
7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione
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6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione
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1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one
CID 154266053
ethane;pentacene-6,13-dione
CID 91293848
3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione
CID 53309958
2,19-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16(21),17,19-heptaene-6,14-dione
CID 51354627
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CID 57387739
19-fluoro-2-methyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16(21),17,19-heptaene-6,14-dione
CID 51355203
methyl (3aS)-4-(3-methoxyphenyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 41088275
4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one
CID 2238162
(3S,7aR)-7a-methyl-2,2,3-triphenyl-6,7-dihydro-3H-pyrrolo[2,1-b][1,3]oxazol-5-one
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Frequently Asked Questions

What is the IUPAC name of 15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione?
The IUPAC name of 15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione (CID 46223611) is 15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione.
What is the SMILES notation for 15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione?
The canonical SMILES for 15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione is CC12CCC(=O)N1c1cc3ccccc3cc1C(=O)O2.
What is the InChIKey of 15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione?
The InChIKey is IBHRSWHDOFETBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-16-7-6-14(18)17(16)13-9-11-5-3-2-4-10(11)8-12(13)15(19)20-16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione?
15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione has a molecular weight of 267.28 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione is sourced from PubChem (CID 46223611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).