6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid

C19H15FN2O5 — CID 143931801

IUPAC6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid
SMILESCc1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(C(=O)O)O3
InChIInChI=1S/C19H15FN2O5/c1-9-16(23)14-15-17(27-13(19(25)26)8-22(15)18(9)24)11(7-21-14)6-10-2-4-12(20)5-3-10/h2-5,7,13,23H,6,8H2,1H3,(H,25,26)
InChIKeyKDTMLJPWGPXFLM-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.99
Rot. Bonds3

About 6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid

6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid (PubChem CID 143931801) has the molecular formula C19H15FN2O5 and a molecular weight of 370.34 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid
PubChem CID143931801
Molecular FormulaC19H15FN2O5
Molecular Weight370.34 g/mol
Exact Mass370.10
IUPAC Name6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid
SMILESCc1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(C(=O)O)O3
InChIInChI=1S/C19H15FN2O5/c1-9-16(23)14-15-17(27-13(19(25)26)8-22(15)18(9)24)11(7-21-14)6-10-2-4-12(20)5-3-10/h2-5,7,13,23H,6,8H2,1H3,(H,25,26)
InChIKeyKDTMLJPWGPXFLM-UHFFFAOYSA-N
XLogP1.99
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid (CID 143931801) is 6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid is Cc1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(C(=O)O)O3.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid?
The InChIKey is KDTMLJPWGPXFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O5/c1-9-16(23)14-15-17(27-13(19(25)26)8-22(15)18(9)24)11(7-21-14)6-10-2-4-12(20)5-3-10/h2-5,7,13,23H,6,8H2,1H3,(H,25,26).
What are the key properties of 6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid?
6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid has a molecular weight of 370.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-10-hydroxy-11-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3-carboxylic acid is sourced from PubChem (CID 143931801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).