14-cyclopentyl-10-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

C20H21N3O3 — CID 71701249

IUPAC14-cyclopentyl-10-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
SMILESCC(C)c1c2oc3cc(=O)ccc3c2[nH]c2c1c(=O)[nH]n2C1CCCC1
InChIInChI=1S/C20H21N3O3/c1-10(2)15-16-19(23(22-20(16)25)11-5-3-4-6-11)21-17-13-8-7-12(24)9-14(13)26-18(15)17/h7-11,21H,3-6H2,1-2H3,(H,22,25)
InChIKeyOFHLVOFKQURJHK-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.16
Rot. Bonds2

About 14-cyclopentyl-10-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

14-cyclopentyl-10-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 71701249) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 14-cyclopentyl-10-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 Name14-cyclopentyl-10-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 CID71701249
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name14-cyclopentyl-10-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
SMILESCC(C)c1c2oc3cc(=O)ccc3c2[nH]c2c1c(=O)[nH]n2C1CCCC1
InChIInChI=1S/C20H21N3O3/c1-10(2)15-16-19(23(22-20(16)25)11-5-3-4-6-11)21-17-13-8-7-12(24)9-14(13)26-18(15)17/h7-11,21H,3-6H2,1-2H3,(H,22,25)
InChIKeyOFHLVOFKQURJHK-UHFFFAOYSA-N
XLogP4.16
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 14-cyclopentyl-10-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 14-cyclopentyl-10-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 14-cyclopentyl-10-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 71701249) is 14-cyclopentyl-10-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 14-cyclopentyl-10-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 14-cyclopentyl-10-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 CC(C)c1c2oc3cc(=O)ccc3c2[nH]c2c1c(=O)[nH]n2C1CCCC1.
What is the InChIKey of 14-cyclopentyl-10-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 OFHLVOFKQURJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-10(2)15-16-19(23(22-20(16)25)11-5-3-4-6-11)21-17-13-8-7-12(24)9-14(13)26-18(15)17/h7-11,21H,3-6H2,1-2H3,(H,22,25).
What are the key properties of 14-cyclopentyl-10-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?
14-cyclopentyl-10-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 351.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclopentyl-10-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 71701249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).