4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane

C23H30N2O5 — CID 142344107

IUPAC4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane
SMILESCC(C)COc1cc2c(nc1C1CC1)-c1cc(=O)c(C(=O)O)cn1CCO2.CCC
InChIInChI=1S/C20H22N2O5.C3H8/c1-11(2)10-27-16-8-17-19(21-18(16)12-3-4-12)14-7-15(23)13(20(24)25)9-22(14)5-6-26-17;1-3-2/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25);3H2,1-2H3
InChIKeyHVNIRWTUAVJPMG-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.33
Rot. Bonds5

About 4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane

4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane (PubChem CID 142344107) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane.

Molecular Properties

Compound Name4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane
PubChem CID142344107
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane
SMILESCC(C)COc1cc2c(nc1C1CC1)-c1cc(=O)c(C(=O)O)cn1CCO2.CCC
InChIInChI=1S/C20H22N2O5.C3H8/c1-11(2)10-27-16-8-17-19(21-18(16)12-3-4-12)14-7-15(23)13(20(24)25)9-22(14)5-6-26-17;1-3-2/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25);3H2,1-2H3
InChIKeyHVNIRWTUAVJPMG-UHFFFAOYSA-N
XLogP4.33
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane?
The IUPAC name of 4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane (CID 142344107) is 4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane.
What is the SMILES notation for 4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane?
The canonical SMILES for 4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane is CC(C)COc1cc2c(nc1C1CC1)-c1cc(=O)c(C(=O)O)cn1CCO2.CCC.
What is the InChIKey of 4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane?
The InChIKey is HVNIRWTUAVJPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5.C3H8/c1-11(2)10-27-16-8-17-19(21-18(16)12-3-4-12)14-7-15(23)13(20(24)25)9-22(14)5-6-26-17;1-3-2/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25);3H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane?
4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane has a molecular weight of 414.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(2-methylpropoxy)-14-oxo-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid;propane is sourced from PubChem (CID 142344107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).