3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione

C16H10N2O2 — CID 141071006

IUPAC3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione
SMILESCc1cccc2[nH]c(=O)c3c(c12)-c1ccncc1C3=O
InChIInChI=1S/C16H10N2O2/c1-8-3-2-4-11-12(8)13-9-5-6-17-7-10(9)15(19)14(13)16(20)18-11/h2-7H,1H3,(H,18,20)
InChIKeyROHSNDAZUUWEGW-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.44
Rot. Bonds

About 3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione

3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione (PubChem CID 141071006) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione.

Molecular Properties

Compound Name3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione
PubChem CID141071006
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione
SMILESCc1cccc2[nH]c(=O)c3c(c12)-c1ccncc1C3=O
InChIInChI=1S/C16H10N2O2/c1-8-3-2-4-11-12(8)13-9-5-6-17-7-10(9)15(19)14(13)16(20)18-11/h2-7H,1H3,(H,18,20)
InChIKeyROHSNDAZUUWEGW-UHFFFAOYSA-N
XLogP2.44
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione?
The IUPAC name of 3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione (CID 141071006) is 3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione.
What is the SMILES notation for 3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione?
The canonical SMILES for 3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione is Cc1cccc2[nH]c(=O)c3c(c12)-c1ccncc1C3=O.
What is the InChIKey of 3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione?
The InChIKey is ROHSNDAZUUWEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c1-8-3-2-4-11-12(8)13-9-5-6-17-7-10(9)15(19)14(13)16(20)18-11/h2-7H,1H3,(H,18,20).
What are the key properties of 3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione?
3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione has a molecular weight of 262.27 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene-9,11-dione is sourced from PubChem (CID 141071006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).