(1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione

C16H16N2O4 — CID 1487157

IUPAC(1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione
SMILESCn1c2c(c(=O)n(C)c1=O)[C@H]1c3ccccc3OC[C@H]1CO2
InChIInChI=1S/C16H16N2O4/c1-17-14(19)13-12-9(8-22-15(13)18(2)16(17)20)7-21-11-6-4-3-5-10(11)12/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m0/s1
InChIKeyFZDZCSYWZKEFFE-JOYOIKCWSA-N
MW300.31 g/mol
LogP0.62
Rot. Bonds

About (1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione

(1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione (PubChem CID 1487157) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione.

Molecular Properties

Compound Name(1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione
PubChem CID1487157
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione
SMILESCn1c2c(c(=O)n(C)c1=O)[C@H]1c3ccccc3OC[C@H]1CO2
InChIInChI=1S/C16H16N2O4/c1-17-14(19)13-12-9(8-22-15(13)18(2)16(17)20)7-21-11-6-4-3-5-10(11)12/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m0/s1
InChIKeyFZDZCSYWZKEFFE-JOYOIKCWSA-N
XLogP0.62
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione?
The IUPAC name of (1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione (CID 1487157) is (1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione.
What is the SMILES notation for (1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione?
The canonical SMILES for (1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione is Cn1c2c(c(=O)n(C)c1=O)[C@H]1c3ccccc3OC[C@H]1CO2.
What is the InChIKey of (1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione?
The InChIKey is FZDZCSYWZKEFFE-JOYOIKCWSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-17-14(19)13-12-9(8-22-15(13)18(2)16(17)20)7-21-11-6-4-3-5-10(11)12/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m0/s1.
What are the key properties of (1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione?
(1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione has a molecular weight of 300.31 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione is sourced from PubChem (CID 1487157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).