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

C16H15BrN2O4 — CID 8016011

IUPAC(1S,10S)-16-bromo-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione
SMILESCn1c2c(c(=O)n(C)c1=O)[C@@H]1c3cc(Br)ccc3OC[C@H]1CO2
InChIInChI=1S/C16H15BrN2O4/c1-18-14(20)13-12-8(7-23-15(13)19(2)16(18)21)6-22-11-4-3-9(17)5-10(11)12/h3-5,8,12H,6-7H2,1-2H3/t8-,12-/m0/s1
InChIKeyPILIDZXJRDQGFJ-UFBFGSQYSA-N
MW379.21 g/mol
LogP1.38
Rot. Bonds

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

(1S,10S)-16-bromo-4,6-dimethyl-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 8016011) has the molecular formula C16H15BrN2O4 and a molecular weight of 379.21 g/mol. Its IUPAC name is (1S,10S)-16-bromo-4,6-dimethyl-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(1S,10S)-16-bromo-4,6-dimethyl-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 CID8016011
Molecular FormulaC16H15BrN2O4
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC Name(1S,10S)-16-bromo-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione
SMILESCn1c2c(c(=O)n(C)c1=O)[C@@H]1c3cc(Br)ccc3OC[C@H]1CO2
InChIInChI=1S/C16H15BrN2O4/c1-18-14(20)13-12-8(7-23-15(13)19(2)16(18)21)6-22-11-4-3-9(17)5-10(11)12/h3-5,8,12H,6-7H2,1-2H3/t8-,12-/m0/s1
InChIKeyPILIDZXJRDQGFJ-UFBFGSQYSA-N
XLogP1.38
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S,10S)-16-bromo-4,6-dimethyl-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(3aS,9bR)-8-bromo-1-phenyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
CID 102262444
2-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 83913657
1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
CID 117201898
(1S,10R)-4-bromo-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene
CID 56646943
9-bromo-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine
CID 83902801
(NE)-N-[1-[(3S)-5-bromo-2,3-dihydro-1-benzofuran-3-yl]ethylidene]hydroxylamine
CID 98288279
ethyl 2-[(1S,10R)-4-bromo-15-oxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraen-14-yl]acetate
CID 25371812
(3S)-3-amino-8-bromo-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;hydrochloride
CID 135309087
3-amino-6-bromo-2,3-dihydrochromen-4-one
CID 71390958
5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 3132928
(8S)-8-(3-bromophenyl)-11,13-dimethyl-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10,12-trione
CID 7253921

Frequently Asked Questions

What is the IUPAC name of (1S,10S)-16-bromo-4,6-dimethyl-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 (1S,10S)-16-bromo-4,6-dimethyl-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 8016011) is (1S,10S)-16-bromo-4,6-dimethyl-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 (1S,10S)-16-bromo-4,6-dimethyl-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 (1S,10S)-16-bromo-4,6-dimethyl-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 Cn1c2c(c(=O)n(C)c1=O)[C@@H]1c3cc(Br)ccc3OC[C@H]1CO2.
What is the InChIKey of (1S,10S)-16-bromo-4,6-dimethyl-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 PILIDZXJRDQGFJ-UFBFGSQYSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c1-18-14(20)13-12-8(7-23-15(13)19(2)16(18)21)6-22-11-4-3-9(17)5-10(11)12/h3-5,8,12H,6-7H2,1-2H3/t8-,12-/m0/s1.
What are the key properties of (1S,10S)-16-bromo-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione?
(1S,10S)-16-bromo-4,6-dimethyl-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 379.21 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10S)-16-bromo-4,6-dimethyl-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 8016011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).