16-chloro-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

C16H15ClN2O4 — CID 4522998

IUPAC16-chloro-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)C1c3cc(Cl)ccc3OCC1CO2
InChIInChI=1S/C16H15ClN2O4/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
InChIKeyKVZJLVOIDJMGOM-UHFFFAOYSA-N
MW334.76 g/mol
LogP1.27
Rot. Bonds

About 16-chloro-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

16-chloro-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 4522998) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 16-chloro-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 Name16-chloro-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 CID4522998
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name16-chloro-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)C1c3cc(Cl)ccc3OCC1CO2
InChIInChI=1S/C16H15ClN2O4/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
InChIKeyKVZJLVOIDJMGOM-UHFFFAOYSA-N
XLogP1.27
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 16-chloro-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

Frequently Asked Questions

What is the IUPAC name of 16-chloro-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 16-chloro-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 4522998) is 16-chloro-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 16-chloro-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 16-chloro-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)C1c3cc(Cl)ccc3OCC1CO2.
What is the InChIKey of 16-chloro-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 KVZJLVOIDJMGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/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.
What are the key properties of 16-chloro-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?
16-chloro-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 334.76 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-chloro-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 4522998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).