14-propan-2-yl-10-thiophen-3-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

C19H15N3O3S — CID 71708125

IUPAC14-propan-2-yl-10-thiophen-3-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)n1[nH]c(=O)c2c(-c3ccsc3)c3oc4cc(=O)ccc4c3[nH]c21
InChIInChI=1S/C19H15N3O3S/c1-9(2)22-18-15(19(24)21-22)14(10-5-6-26-8-10)17-16(20-18)12-4-3-11(23)7-13(12)25-17/h3-9,20H,1-2H3,(H,21,24)
InChIKeyOKOFMBLGSOSSBD-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.23
Rot. Bonds2

About 14-propan-2-yl-10-thiophen-3-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-propan-2-yl-10-thiophen-3-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 71708125) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 14-propan-2-yl-10-thiophen-3-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-propan-2-yl-10-thiophen-3-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 CID71708125
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name14-propan-2-yl-10-thiophen-3-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)n1[nH]c(=O)c2c(-c3ccsc3)c3oc4cc(=O)ccc4c3[nH]c21
InChIInChI=1S/C19H15N3O3S/c1-9(2)22-18-15(19(24)21-22)14(10-5-6-26-8-10)17-16(20-18)12-4-3-11(23)7-13(12)25-17/h3-9,20H,1-2H3,(H,21,24)
InChIKeyOKOFMBLGSOSSBD-UHFFFAOYSA-N
XLogP4.23
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 14-propan-2-yl-10-thiophen-3-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

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Frequently Asked Questions

What is the IUPAC name of 14-propan-2-yl-10-thiophen-3-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-propan-2-yl-10-thiophen-3-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 71708125) is 14-propan-2-yl-10-thiophen-3-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-propan-2-yl-10-thiophen-3-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-propan-2-yl-10-thiophen-3-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)n1[nH]c(=O)c2c(-c3ccsc3)c3oc4cc(=O)ccc4c3[nH]c21.
What is the InChIKey of 14-propan-2-yl-10-thiophen-3-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 OKOFMBLGSOSSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-9(2)22-18-15(19(24)21-22)14(10-5-6-26-8-10)17-16(20-18)12-4-3-11(23)7-13(12)25-17/h3-9,20H,1-2H3,(H,21,24).
What are the key properties of 14-propan-2-yl-10-thiophen-3-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-propan-2-yl-10-thiophen-3-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 365.41 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-propan-2-yl-10-thiophen-3-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 71708125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).