fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate

C19H19F2N3O3 — CID 143890881

IUPACfluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate
SMILESO=C(OF)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCCC1CNC3
InChIInChI=1S/C19H19F2N3O3/c20-15-6-12-16(13-8-22-7-11-2-1-5-23(11)17(13)15)24(10-3-4-10)9-14(18(12)25)19(26)27-21/h6,9-11,22H,1-5,7-8H2
InChIKeyWDLXRGBHXMTODR-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.59
Rot. Bonds2

About fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate

fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate (PubChem CID 143890881) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate.

Molecular Properties

Compound Namefluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate
PubChem CID143890881
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Namefluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate
SMILESO=C(OF)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCCC1CNC3
InChIInChI=1S/C19H19F2N3O3/c20-15-6-12-16(13-8-22-7-11-2-1-5-23(11)17(13)15)24(10-3-4-10)9-14(18(12)25)19(26)27-21/h6,9-11,22H,1-5,7-8H2
InChIKeyWDLXRGBHXMTODR-UHFFFAOYSA-N
XLogP2.59
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate with MolForge

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Related Compounds

fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine
CID 143890808
12-cyclopropyl-18-fluoro-8-methoxyimino-15-oxo-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
CID 87071026
(4S,6S)-4-amino-12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carbaldehyde
CID 87075202
ethyl (4R,6S)-4-(aminomethyl)-12-cyclopropyl-18-fluoro-15-oxo-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate
CID 66600370
12-cyclopropyl-18-fluoro-8,15-dioxo-8λ4-thia-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid;12-cyclopropyl-18-fluoro-8,8,15-trioxo-8λ6-thia-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid;ethyl 12-cyclopropyl-18-fluoro-8,15-dioxo-8λ4-thia-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;ethyl 12-cyclopropyl-18-fluoro-8,8,15-trioxo-8λ6-thia-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate
CID 158590902
methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate
CID 24897902
6-amino-12-cyclopropyl-18-fluoro-15-oxo-9-thia-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
CID 75602963
(4R)-4-amino-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
CID 143890883
12-cyclopropyl-18-fluoro-8-methyl-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carbaldehyde
CID 88587280
(5R,7S)-5-(aminomethyl)-12-cyclopropyl-18-fluoro-15-oxo-9-thia-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
CID 51036860
1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid
CID 67061169
7-[(3S)-3-aminopiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 11047030

Frequently Asked Questions

What is the IUPAC name of fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate?
The IUPAC name of fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate (CID 143890881) is fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate.
What is the SMILES notation for fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate?
The canonical SMILES for fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate is O=C(OF)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCCC1CNC3.
What is the InChIKey of fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate?
The InChIKey is WDLXRGBHXMTODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c20-15-6-12-16(13-8-22-7-11-2-1-5-23(11)17(13)15)24(10-3-4-10)9-14(18(12)25)19(26)27-21/h6,9-11,22H,1-5,7-8H2.
What are the key properties of fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate?
fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate has a molecular weight of 375.38 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate is sourced from PubChem (CID 143890881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).