(6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one

C24H29ClN2O3 — CID 171700657

IUPAC(6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one
SMILESCN1C(=O)COc2ccccc2CCCCO[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]21
InChIInChI=1S/C24H29ClN2O3/c1-26-21-15-27(14-18-9-11-20(25)12-10-18)16-23(21)29-13-5-4-7-19-6-2-3-8-22(19)30-17-24(26)28/h2-3,6,8-12,21,23H,4-5,7,13-17H2,1H3/t21-,23-/m1/s1
InChIKeyPYLLSRHKCHQLTP-FYYLOGMGSA-N
MW428.96 g/mol
LogP3.78
Rot. Bonds2

About (6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one

(6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one (PubChem CID 171700657) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is (6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one.

Molecular Properties

Compound Name(6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one
PubChem CID171700657
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name(6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one
SMILESCN1C(=O)COc2ccccc2CCCCO[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]21
InChIInChI=1S/C24H29ClN2O3/c1-26-21-15-27(14-18-9-11-20(25)12-10-18)16-23(21)29-13-5-4-7-19-6-2-3-8-22(19)30-17-24(26)28/h2-3,6,8-12,21,23H,4-5,7,13-17H2,1H3/t21-,23-/m1/s1
InChIKeyPYLLSRHKCHQLTP-FYYLOGMGSA-N
XLogP3.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one 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 (6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one?
The IUPAC name of (6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one (CID 171700657) is (6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one.
What is the SMILES notation for (6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one?
The canonical SMILES for (6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one is CN1C(=O)COc2ccccc2CCCCO[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]21.
What is the InChIKey of (6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one?
The InChIKey is PYLLSRHKCHQLTP-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-26-21-15-27(14-18-9-11-20(25)12-10-18)16-23(21)29-13-5-4-7-19-6-2-3-8-22(19)30-17-24(26)28/h2-3,6,8-12,21,23H,4-5,7,13-17H2,1H3/t21-,23-/m1/s1.
What are the key properties of (6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one?
(6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one has a molecular weight of 428.96 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10R)-8-[(4-chlorophenyl)methyl]-5-methyl-2,11-dioxa-5,8-diazatricyclo[14.4.0.06,10]icosa-1(20),16,18-trien-4-one is sourced from PubChem (CID 171700657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).