(6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid

C19H19FN2O5 — CID 135290162

IUPAC(6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
SMILESCOc1cc2c(c(F)c1O)[C@H]1CCC(C)(C)N1n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C19H19FN2O5/c1-19(2)5-4-11-15-9(6-14(27-3)17(24)16(15)20)12-7-13(23)10(18(25)26)8-21(12)22(11)19/h6-8,11,24H,4-5H2,1-3H3,(H,25,26)/t11-/m1/s1
InChIKeyYPFODQBDMZSDNO-LLVKDONJSA-N
MW374.37 g/mol
LogP2.63
Rot. Bonds2

About (6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid

(6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid (PubChem CID 135290162) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is (6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid.

Molecular Properties

Compound Name(6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
PubChem CID135290162
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name(6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
SMILESCOc1cc2c(c(F)c1O)[C@H]1CCC(C)(C)N1n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C19H19FN2O5/c1-19(2)5-4-11-15-9(6-14(27-3)17(24)16(15)20)12-7-13(23)10(18(25)26)8-21(12)22(11)19/h6-8,11,24H,4-5H2,1-3H3,(H,25,26)/t11-/m1/s1
InChIKeyYPFODQBDMZSDNO-LLVKDONJSA-N
XLogP2.63
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid with MolForge

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Related Compounds

10-methoxy-3,3,9-trimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid
CID 135296991
(6R)-10-methoxy-3,3-dimethyl-15-oxo-9-pyrimidin-2-yloxy-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 135296988
10-methoxy-3,3-dimethyl-15-oxo-9-pyrimidin-2-yloxy-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 135296998
9-[(3,3-difluorocyclobutyl)methoxy]-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 135296994
(6R)-9-(3-ethoxypropoxy)-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 135296958
9,10-bis(3-methoxypropoxy)-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 135296712
(6S)-9-(3-methoxypropoxy)-3,3-dimethyl-10-[(2-methylpropan-2-yl)oxy]-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 135296813
9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-10-(trifluoromethoxy)-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 135315961
3,3-dimethyl-15-oxo-9-phenylmethoxy-10-(trifluoromethoxy)-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 135290150
9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-10-propan-2-yloxy-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 146175346
(14S)-10-methoxy-11-(3-methoxypropoxy)-19,19-dimethyl-5-oxo-1,2-diazatetracyclo[12.5.0.02,7.08,13]nonadeca-3,6,8,10,12-pentaene-4-carboxylic acid
CID 146175313
(6R)-9-(3-methoxy-3-methylbut-1-ynyl)-3,3-dimethyl-15-oxo-10-(trifluoromethoxy)-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid
CID 135296892

Frequently Asked Questions

What is the IUPAC name of (6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid?
The IUPAC name of (6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid (CID 135290162) is (6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid.
What is the SMILES notation for (6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid?
The canonical SMILES for (6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid is COc1cc2c(c(F)c1O)[C@H]1CCC(C)(C)N1n1cc(C(=O)O)c(=O)cc1-2.
What is the InChIKey of (6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid?
The InChIKey is YPFODQBDMZSDNO-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-19(2)5-4-11-15-9(6-14(27-3)17(24)16(15)20)12-7-13(23)10(18(25)26)8-21(12)22(11)19/h6-8,11,24H,4-5H2,1-3H3,(H,25,26)/t11-/m1/s1.
What are the key properties of (6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid?
(6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid has a molecular weight of 374.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-fluoro-9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid is sourced from PubChem (CID 135290162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).