(3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

C14H17ClN2O3 — CID 58067101

IUPAC(3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESCCc1cn2c(c(Cl)c1=O)C(=O)N1[C@H](C)CCO[C@H]1C2
InChIInChI=1S/C14H17ClN2O3/c1-3-9-6-16-7-10-17(8(2)4-5-20-10)14(19)12(16)11(15)13(9)18/h6,8,10H,3-5,7H2,1-2H3/t8-,10+/m1/s1
InChIKeyUBENYMYFRZENLV-SCZZXKLOSA-N
MW296.75 g/mol
LogP1.65
Rot. Bonds1

About (3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

(3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (PubChem CID 58067101) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is (3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name(3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
PubChem CID58067101
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name(3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESCCc1cn2c(c(Cl)c1=O)C(=O)N1[C@H](C)CCO[C@H]1C2
InChIInChI=1S/C14H17ClN2O3/c1-3-9-6-16-7-10-17(8(2)4-5-20-10)14(19)12(16)11(15)13(9)18/h6,8,10H,3-5,7H2,1-2H3/t8-,10+/m1/s1
InChIKeyUBENYMYFRZENLV-SCZZXKLOSA-N
XLogP1.65
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of (3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (CID 58067101) is (3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for (3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for (3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is CCc1cn2c(c(Cl)c1=O)C(=O)N1[C@H](C)CCO[C@H]1C2.
What is the InChIKey of (3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The InChIKey is UBENYMYFRZENLV-SCZZXKLOSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-3-9-6-16-7-10-17(8(2)4-5-20-10)14(19)12(16)11(15)13(9)18/h6,8,10H,3-5,7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
(3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione has a molecular weight of 296.75 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R)-11-chloro-13-ethyl-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 58067101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).