7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione

C21H12F2N2O2 — CID 155762107

IUPAC7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
SMILESO=C1c2c(n(Cc3cccc(F)c3)c3c(F)cccc3c2=O)-c2cccn21
InChIInChI=1S/C21H12F2N2O2/c22-13-5-1-4-12(10-13)11-25-18-14(6-2-7-15(18)23)20(26)17-19(25)16-8-3-9-24(16)21(17)27/h1-10H,11H2
InChIKeyBTZIOLDMNNKJLN-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.80
Rot. Bonds2

About 7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione

7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione (PubChem CID 155762107) has the molecular formula C21H12F2N2O2 and a molecular weight of 362.34 g/mol. Its IUPAC name is 7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione.

Molecular Properties

Compound Name7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
PubChem CID155762107
Molecular FormulaC21H12F2N2O2
Molecular Weight362.34 g/mol
Exact Mass362.09
IUPAC Name7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
SMILESO=C1c2c(n(Cc3cccc(F)c3)c3c(F)cccc3c2=O)-c2cccn21
InChIInChI=1S/C21H12F2N2O2/c22-13-5-1-4-12(10-13)11-25-18-14(6-2-7-15(18)23)20(26)17-19(25)16-8-3-9-24(16)21(17)27/h1-10H,11H2
InChIKeyBTZIOLDMNNKJLN-UHFFFAOYSA-N
XLogP3.80
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione with MolForge

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Related Compounds

4-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
CID 155762134
7-chloro-9-[(4-chlorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
CID 155762078
7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
CID 155762312
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
2-[(4-chlorophenyl)methoxy]-4-fluoro-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-16-one
CID 147882946
1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
CID 7286783
5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 57431513
3-[(3-fluorophenyl)methyl]-1,2,3-benzotriazin-4-one
CID 2988728
2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
CID 82269315
2-[(4-chlorophenyl)methoxy]-6-fluoro-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-16-one
CID 155762024
1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one
CID 142438240

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The IUPAC name of 7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione (CID 155762107) is 7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione.
What is the SMILES notation for 7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The canonical SMILES for 7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione is O=C1c2c(n(Cc3cccc(F)c3)c3c(F)cccc3c2=O)-c2cccn21.
What is the InChIKey of 7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The InChIKey is BTZIOLDMNNKJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F2N2O2/c22-13-5-1-4-12(10-13)11-25-18-14(6-2-7-15(18)23)20(26)17-19(25)16-8-3-9-24(16)21(17)27/h1-10H,11H2.
What are the key properties of 7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione has a molecular weight of 362.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-9-[(3-fluorophenyl)methyl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione is sourced from PubChem (CID 155762107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).