Skip to content

Ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid

C23H33N3O2 — CID 143186666

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid
SMILESCC.CCC.CCCc1c2n(c3cc(C(=O)O)ccc13)CCCn1ccnc1-2
InChIInChI=1S/C18H19N3O2.C3H8.C2H6/c1-2-4-14-13-6-5-12(18(22)23)11-15(13)21-9-3-8-20-10-7-19-17(20)16(14)21;1-3-2;1-2/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,23);3H2,1-2H3;1-2H3
InChIKeyYFOGDSZUURBNDB-UHFFFAOYSA-N
MW383.54 g/mol
LogP6.00
Rot. Bonds3

About Ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid

Ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid (PubChem CID 143186666) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid.

Molecular Properties

Compound NameEthane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid
PubChem CID143186666
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Nameethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid
SMILESCC.CCC.CCCc1c2n(c3cc(C(=O)O)ccc13)CCCn1ccnc1-2
InChIInChI=1S/C18H19N3O2.C3H8.C2H6/c1-2-4-14-13-6-5-12(18(22)23)11-15(13)21-9-3-8-20-10-7-19-17(20)16(14)21;1-3-2;1-2/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,23);3H2,1-2H3;1-2H3
InChIKeyYFOGDSZUURBNDB-UHFFFAOYSA-N
XLogP6.00
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze Ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid 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 Ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid?
The IUPAC name of Ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid (CID 143186666) is ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid.
What is the SMILES notation for Ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid?
The canonical SMILES for Ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid is CC.CCC.CCCc1c2n(c3cc(C(=O)O)ccc13)CCCn1ccnc1-2.
What is the InChIKey of Ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid?
The InChIKey is YFOGDSZUURBNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2.C3H8.C2H6/c1-2-4-14-13-6-5-12(18(22)23)11-15(13)21-9-3-8-20-10-7-19-17(20)16(14)21;1-3-2;1-2/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,23);3H2,1-2H3;1-2H3.
What are the key properties of Ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid?
Ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid has a molecular weight of 383.54 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;propane;17-propyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid is sourced from PubChem (CID 143186666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.