14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione

C19H16N2O3 — CID 102071790

IUPAC14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione
SMILESCCCCn1c(=O)nc2oc3cc4ccccc4ccc3c2c1=O
InChIInChI=1S/C19H16N2O3/c1-2-3-10-21-18(22)16-14-9-8-12-6-4-5-7-13(12)11-15(14)24-17(16)20-19(21)23/h4-9,11H,2-3,10H2,1H3
InChIKeyVBONGAZZOIZUNG-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.46
Rot. Bonds3

About 14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione

14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione (PubChem CID 102071790) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione.

Molecular Properties

Compound Name14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione
PubChem CID102071790
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione
SMILESCCCCn1c(=O)nc2oc3cc4ccccc4ccc3c2c1=O
InChIInChI=1S/C19H16N2O3/c1-2-3-10-21-18(22)16-14-9-8-12-6-4-5-7-13(12)11-15(14)24-17(16)20-19(21)23/h4-9,11H,2-3,10H2,1H3
InChIKeyVBONGAZZOIZUNG-UHFFFAOYSA-N
XLogP3.46
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione?
The IUPAC name of 14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione (CID 102071790) is 14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione.
What is the SMILES notation for 14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione?
The canonical SMILES for 14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione is CCCCn1c(=O)nc2oc3cc4ccccc4ccc3c2c1=O.
What is the InChIKey of 14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione?
The InChIKey is VBONGAZZOIZUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-2-3-10-21-18(22)16-14-9-8-12-6-4-5-7-13(12)11-15(14)24-17(16)20-19(21)23/h4-9,11H,2-3,10H2,1H3.
What are the key properties of 14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione?
14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione has a molecular weight of 320.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-butyl-18-oxa-14,16-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1,3,5,7,9,11,16-heptaene-13,15-dione is sourced from PubChem (CID 102071790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).