6-hydroxy-14-propan-2-yl-10-thiophen-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

C19H15N3O4S — CID 71708516

IUPAC6-hydroxy-14-propan-2-yl-10-thiophen-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)n1[nH]c(=O)c2c(-c3cccs3)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C19H15N3O4S/c1-8(2)22-18-13(19(25)21-22)12(11-4-3-7-27-11)17-14(20-18)9-5-6-10(23)15(24)16(9)26-17/h3-8,20,24H,1-2H3,(H,21,25)
InChIKeyJUWHNEVSAYSZGI-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.93
Rot. Bonds2

About 6-hydroxy-14-propan-2-yl-10-thiophen-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

6-hydroxy-14-propan-2-yl-10-thiophen-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 71708516) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 6-hydroxy-14-propan-2-yl-10-thiophen-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 Name6-hydroxy-14-propan-2-yl-10-thiophen-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 CID71708516
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name6-hydroxy-14-propan-2-yl-10-thiophen-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)n1[nH]c(=O)c2c(-c3cccs3)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C19H15N3O4S/c1-8(2)22-18-13(19(25)21-22)12(11-4-3-7-27-11)17-14(20-18)9-5-6-10(23)15(24)16(9)26-17/h3-8,20,24H,1-2H3,(H,21,25)
InChIKeyJUWHNEVSAYSZGI-UHFFFAOYSA-N
XLogP3.93
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-hydroxy-14-propan-2-yl-10-thiophen-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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-14-propan-2-yl-10-thiophen-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 6-hydroxy-14-propan-2-yl-10-thiophen-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 71708516) is 6-hydroxy-14-propan-2-yl-10-thiophen-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 6-hydroxy-14-propan-2-yl-10-thiophen-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 6-hydroxy-14-propan-2-yl-10-thiophen-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)n1[nH]c(=O)c2c(-c3cccs3)c3oc4c(O)c(=O)ccc4c3[nH]c21.
What is the InChIKey of 6-hydroxy-14-propan-2-yl-10-thiophen-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 JUWHNEVSAYSZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-8(2)22-18-13(19(25)21-22)12(11-4-3-7-27-11)17-14(20-18)9-5-6-10(23)15(24)16(9)26-17/h3-8,20,24H,1-2H3,(H,21,25).
What are the key properties of 6-hydroxy-14-propan-2-yl-10-thiophen-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?
6-hydroxy-14-propan-2-yl-10-thiophen-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 381.41 g/mol, XLogP of 3.93, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-14-propan-2-yl-10-thiophen-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 71708516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).