(1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione

C14H11BrN2O4 — CID 8015889

IUPAC(1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)[C@H]1c3cc(Br)ccc3OC[C@@H]1CO2
InChIInChI=1S/C14H11BrN2O4/c15-7-1-2-9-8(3-7)10-6(4-20-9)5-21-13-11(10)12(18)16-14(19)17-13/h1-3,6,10H,4-5H2,(H2,16,17,18,19)/t6-,10-/m1/s1
InChIKeyGMUWEIQHPNRWBM-LHLIQPBNSA-N
MW351.16 g/mol
LogP1.36
Rot. Bonds

About (1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione

(1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione (PubChem CID 8015889) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is (1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione.

Molecular Properties

Compound Name(1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione
PubChem CID8015889
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC Name(1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)[C@H]1c3cc(Br)ccc3OC[C@@H]1CO2
InChIInChI=1S/C14H11BrN2O4/c15-7-1-2-9-8(3-7)10-6(4-20-9)5-21-13-11(10)12(18)16-14(19)17-13/h1-3,6,10H,4-5H2,(H2,16,17,18,19)/t6-,10-/m1/s1
InChIKeyGMUWEIQHPNRWBM-LHLIQPBNSA-N
XLogP1.36
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione?
The IUPAC name of (1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione (CID 8015889) is (1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione.
What is the SMILES notation for (1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione?
The canonical SMILES for (1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione is O=c1[nH]c2c(c(=O)[nH]1)[C@H]1c3cc(Br)ccc3OC[C@@H]1CO2.
What is the InChIKey of (1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione?
The InChIKey is GMUWEIQHPNRWBM-LHLIQPBNSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c15-7-1-2-9-8(3-7)10-6(4-20-9)5-21-13-11(10)12(18)16-14(19)17-13/h1-3,6,10H,4-5H2,(H2,16,17,18,19)/t6-,10-/m1/s1.
What are the key properties of (1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione?
(1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione has a molecular weight of 351.16 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R)-16-bromo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione is sourced from PubChem (CID 8015889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).