15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid

C20H16FNO5 — CID 19961952

IUPAC15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid
SMILESCC(C)(C)Oc1c(F)cn2c(=O)c(C(=O)O)cc3c2c1-c1ccccc1O3
InChIInChI=1S/C20H16FNO5/c1-20(2,3)27-17-12(21)9-22-16-14(8-11(18(22)23)19(24)25)26-13-7-5-4-6-10(13)15(16)17/h4-9H,1-3H3,(H,24,25)
InChIKeyAPQRMSZHENWVCX-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.09
Rot. Bonds2

About 15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid

15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid (PubChem CID 19961952) has the molecular formula C20H16FNO5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid.

Molecular Properties

Compound Name15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid
PubChem CID19961952
Molecular FormulaC20H16FNO5
Molecular Weight369.35 g/mol
Exact Mass369.10
IUPAC Name15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid
SMILESCC(C)(C)Oc1c(F)cn2c(=O)c(C(=O)O)cc3c2c1-c1ccccc1O3
InChIInChI=1S/C20H16FNO5/c1-20(2,3)27-17-12(21)9-22-16-14(8-11(18(22)23)19(24)25)26-13-7-5-4-6-10(13)15(16)17/h4-9H,1-3H3,(H,24,25)
InChIKeyAPQRMSZHENWVCX-UHFFFAOYSA-N
XLogP4.09
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid?
The IUPAC name of 15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid (CID 19961952) is 15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid.
What is the SMILES notation for 15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid?
The canonical SMILES for 15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid is CC(C)(C)Oc1c(F)cn2c(=O)c(C(=O)O)cc3c2c1-c1ccccc1O3.
What is the InChIKey of 15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid?
The InChIKey is APQRMSZHENWVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO5/c1-20(2,3)27-17-12(21)9-22-16-14(8-11(18(22)23)19(24)25)26-13-7-5-4-6-10(13)15(16)17/h4-9H,1-3H3,(H,24,25).
What are the key properties of 15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid?
15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid has a molecular weight of 369.35 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-fluoro-16-[(2-methylpropan-2-yl)oxy]-12-oxo-8-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,14-heptaene-11-carboxylic acid is sourced from PubChem (CID 19961952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).