16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one

C19H15N3O4 — CID 135981883

IUPAC16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
SMILESCOc1ccc(C2C3=C(COC3=O)Nc3ccc4cn[nH]c4c32)cc1O
InChIInChI=1S/C19H15N3O4/c1-25-14-5-3-9(6-13(14)23)15-16-11(4-2-10-7-20-22-18(10)16)21-12-8-26-19(24)17(12)15/h2-7,15,21,23H,8H2,1H3,(H,20,22)
InChIKeyCHXKZGDHMHJYBH-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.65
Rot. Bonds2

About 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one

16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one (PubChem CID 135981883) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one.

Molecular Properties

Compound Name16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
PubChem CID135981883
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
SMILESCOc1ccc(C2C3=C(COC3=O)Nc3ccc4cn[nH]c4c32)cc1O
InChIInChI=1S/C19H15N3O4/c1-25-14-5-3-9(6-13(14)23)15-16-11(4-2-10-7-20-22-18(10)16)21-12-8-26-19(24)17(12)15/h2-7,15,21,23H,8H2,1H3,(H,20,22)
InChIKeyCHXKZGDHMHJYBH-UHFFFAOYSA-N
XLogP2.65
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one?
The IUPAC name of 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one (CID 135981883) is 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one.
What is the SMILES notation for 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one?
The canonical SMILES for 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one is COc1ccc(C2C3=C(COC3=O)Nc3ccc4cn[nH]c4c32)cc1O.
What is the InChIKey of 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one?
The InChIKey is CHXKZGDHMHJYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-25-14-5-3-9(6-13(14)23)15-16-11(4-2-10-7-20-22-18(10)16)21-12-8-26-19(24)17(12)15/h2-7,15,21,23H,8H2,1H3,(H,20,22).
What are the key properties of 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one?
16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one has a molecular weight of 349.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(3-hydroxy-4-methoxyphenyl)-13-oxa-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one is sourced from PubChem (CID 135981883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).