6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid

C18H16N2O5 — CID 118867489

IUPAC6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid
SMILESCn1ccc2c3c(ccc21)-c1[nH]c(=O)c(C(=O)O)c(O)c1OCCC3
InChIInChI=1S/C18H16N2O5/c1-20-7-6-10-9-3-2-8-25-16-14(11(9)4-5-12(10)20)19-17(22)13(15(16)21)18(23)24/h4-7H,2-3,8H2,1H3,(H,23,24)(H2,19,21,22)
InChIKeyIWYVHOFKAWWEQQ-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.26
Rot. Bonds1

About 6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid

6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid (PubChem CID 118867489) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid
PubChem CID118867489
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid
SMILESCn1ccc2c3c(ccc21)-c1[nH]c(=O)c(C(=O)O)c(O)c1OCCC3
InChIInChI=1S/C18H16N2O5/c1-20-7-6-10-9-3-2-8-25-16-14(11(9)4-5-12(10)20)19-17(22)13(15(16)21)18(23)24/h4-7H,2-3,8H2,1H3,(H,23,24)(H2,19,21,22)
InChIKeyIWYVHOFKAWWEQQ-UHFFFAOYSA-N
XLogP2.26
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid?
The IUPAC name of 6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid (CID 118867489) is 6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid.
What is the SMILES notation for 6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid?
The canonical SMILES for 6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid is Cn1ccc2c3c(ccc21)-c1[nH]c(=O)c(C(=O)O)c(O)c1OCCC3.
What is the InChIKey of 6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid?
The InChIKey is IWYVHOFKAWWEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-20-7-6-10-9-3-2-8-25-16-14(11(9)4-5-12(10)20)19-17(22)13(15(16)21)18(23)24/h4-7H,2-3,8H2,1H3,(H,23,24)(H2,19,21,22).
What are the key properties of 6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid?
6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid has a molecular weight of 340.34 g/mol, XLogP of 2.26, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-16-methyl-4-oxo-8-oxa-3,16-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2(7),5,13(17),14,18-hexaene-5-carboxylic acid is sourced from PubChem (CID 118867489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).