11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one

C19H18F2N4O2 — CID 118262605

IUPAC11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
SMILESCn1c2c(c3ccc(Nc4ccc(F)c(OCCF)c4)nc31)C(=O)NCC2
InChIInChI=1S/C19H18F2N4O2/c1-25-14-6-8-22-19(26)17(14)12-3-5-16(24-18(12)25)23-11-2-4-13(21)15(10-11)27-9-7-20/h2-5,10H,6-9H2,1H3,(H,22,26)(H,23,24)
InChIKeyZLEHLFDMXHADPU-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.09
Rot. Bonds5

About 11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one

11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one (PubChem CID 118262605) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one.

Molecular Properties

Compound Name11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
PubChem CID118262605
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
SMILESCn1c2c(c3ccc(Nc4ccc(F)c(OCCF)c4)nc31)C(=O)NCC2
InChIInChI=1S/C19H18F2N4O2/c1-25-14-6-8-22-19(26)17(14)12-3-5-16(24-18(12)25)23-11-2-4-13(21)15(10-11)27-9-7-20/h2-5,10H,6-9H2,1H3,(H,22,26)(H,23,24)
InChIKeyZLEHLFDMXHADPU-UHFFFAOYSA-N
XLogP3.09
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
The IUPAC name of 11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one (CID 118262605) is 11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one.
What is the SMILES notation for 11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
The canonical SMILES for 11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one is Cn1c2c(c3ccc(Nc4ccc(F)c(OCCF)c4)nc31)C(=O)NCC2.
What is the InChIKey of 11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
The InChIKey is ZLEHLFDMXHADPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-25-14-6-8-22-19(26)17(14)12-3-5-16(24-18(12)25)23-11-2-4-13(21)15(10-11)27-9-7-20/h2-5,10H,6-9H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one has a molecular weight of 372.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-fluoro-3-(2-fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one is sourced from PubChem (CID 118262605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).