5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid

C20H16FN3O5 — CID 134346944

IUPAC5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid
SMILESNc1ccc2c(c1)Oc1c(N3CCOCC3)c(F)cc3c(=O)c(C(=O)O)cn-2c13
InChIInChI=1S/C20H16FN3O5/c21-13-8-11-16-19(17(13)23-3-5-28-6-4-23)29-15-7-10(22)1-2-14(15)24(16)9-12(18(11)25)20(26)27/h1-2,7-9H,3-6,22H2,(H,26,27)
InChIKeyHLLKIMLVONAMSU-UHFFFAOYSA-N
MW397.36 g/mol
LogP2.35
Rot. Bonds2

About 5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid

5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid (PubChem CID 134346944) has the molecular formula C20H16FN3O5 and a molecular weight of 397.36 g/mol. Its IUPAC name is 5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid.

Molecular Properties

Compound Name5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid
PubChem CID134346944
Molecular FormulaC20H16FN3O5
Molecular Weight397.36 g/mol
Exact Mass397.11
IUPAC Name5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid
SMILESNc1ccc2c(c1)Oc1c(N3CCOCC3)c(F)cc3c(=O)c(C(=O)O)cn-2c13
InChIInChI=1S/C20H16FN3O5/c21-13-8-11-16-19(17(13)23-3-5-28-6-4-23)29-15-7-10(22)1-2-14(15)24(16)9-12(18(11)25)20(26)27/h1-2,7-9H,3-6,22H2,(H,26,27)
InChIKeyHLLKIMLVONAMSU-UHFFFAOYSA-N
XLogP2.35
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid?
The IUPAC name of 5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid (CID 134346944) is 5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid.
What is the SMILES notation for 5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid?
The canonical SMILES for 5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid is Nc1ccc2c(c1)Oc1c(N3CCOCC3)c(F)cc3c(=O)c(C(=O)O)cn-2c13.
What is the InChIKey of 5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid?
The InChIKey is HLLKIMLVONAMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O5/c21-13-8-11-16-19(17(13)23-3-5-28-6-4-23)29-15-7-10(22)1-2-14(15)24(16)9-12(18(11)25)20(26)27/h1-2,7-9H,3-6,22H2,(H,26,27).
What are the key properties of 5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid?
5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid has a molecular weight of 397.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-11-fluoro-10-morpholin-4-yl-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid is sourced from PubChem (CID 134346944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).