6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C20H23N3O3 — CID 71755345

IUPAC6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCc1c(=O)ccc2c1oc1c(CC(C)C)c3c(=O)[nH]n(C(C)C)c3[nH]c12
InChIInChI=1S/C20H23N3O3/c1-9(2)8-13-15-19(23(10(3)4)22-20(15)25)21-16-12-6-7-14(24)11(5)17(12)26-18(13)16/h6-7,9-10,21H,8H2,1-5H3,(H,22,25)
InChIKeyZYEMGQFUZAKFCA-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.01
Rot. Bonds3

About 6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (PubChem CID 71755345) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

Molecular Properties

Compound Name6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
PubChem CID71755345
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCc1c(=O)ccc2c1oc1c(CC(C)C)c3c(=O)[nH]n(C(C)C)c3[nH]c12
InChIInChI=1S/C20H23N3O3/c1-9(2)8-13-15-19(23(10(3)4)22-20(15)25)21-16-12-6-7-14(24)11(5)17(12)26-18(13)16/h6-7,9-10,21H,8H2,1-5H3,(H,22,25)
InChIKeyZYEMGQFUZAKFCA-UHFFFAOYSA-N
XLogP4.01
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-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 6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The IUPAC name of 6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (CID 71755345) is 6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.
What is the SMILES notation for 6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The canonical SMILES for 6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is Cc1c(=O)ccc2c1oc1c(CC(C)C)c3c(=O)[nH]n(C(C)C)c3[nH]c12.
What is the InChIKey of 6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The InChIKey is ZYEMGQFUZAKFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-9(2)8-13-15-19(23(10(3)4)22-20(15)25)21-16-12-6-7-14(24)11(5)17(12)26-18(13)16/h6-7,9-10,21H,8H2,1-5H3,(H,22,25).
What are the key properties of 6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione has a molecular weight of 353.42 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-10-(2-methylpropyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is sourced from PubChem (CID 71755345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).