11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C15H7ClF3N5O — CID 30467563

IUPAC11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1cccc(Cl)c1
InChIInChI=1S/C15H7ClF3N5O/c16-8-2-1-3-9(6-8)23-5-4-11-10(12(23)25)7-20-14-21-13(15(17,18)19)22-24(11)14/h1-7H
InChIKeyZMOYIZVVBVNHJM-UHFFFAOYSA-N
MW365.70 g/mol
LogP3.10
Rot. Bonds1

About 11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 30467563) has the molecular formula C15H7ClF3N5O and a molecular weight of 365.70 g/mol. Its IUPAC name is 11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID30467563
Molecular FormulaC15H7ClF3N5O
Molecular Weight365.70 g/mol
Exact Mass365.03
IUPAC Name11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1cccc(Cl)c1
InChIInChI=1S/C15H7ClF3N5O/c16-8-2-1-3-9(6-8)23-5-4-11-10(12(23)25)7-20-14-21-13(15(17,18)19)22-24(11)14/h1-7H
InChIKeyZMOYIZVVBVNHJM-UHFFFAOYSA-N
XLogP3.10
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.70
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 30467563) is 11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1cccc(Cl)c1.
What is the InChIKey of 11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is ZMOYIZVVBVNHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3N5O/c16-8-2-1-3-9(6-8)23-5-4-11-10(12(23)25)7-20-14-21-13(15(17,18)19)22-24(11)14/h1-7H.
What are the key properties of 11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 365.70 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-chlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 30467563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).