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

C21H12Cl2N2O2 — CID 155762078

IUPAC7-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
SMILESO=C1c2c(n(Cc3ccc(Cl)cc3)c3c(Cl)cccc3c2=O)-c2cccn21
InChIInChI=1S/C21H12Cl2N2O2/c22-13-8-6-12(7-9-13)11-25-18-14(3-1-4-15(18)23)20(26)17-19(25)16-5-2-10-24(16)21(17)27/h1-10H,11H2
InChIKeyWAKZNEBSWVEWPC-UHFFFAOYSA-N
MW395.25 g/mol
LogP4.83
Rot. Bonds2

About 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

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 (PubChem CID 155762078) has the molecular formula C21H12Cl2N2O2 and a molecular weight of 395.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID155762078
Molecular FormulaC21H12Cl2N2O2
Molecular Weight395.25 g/mol
Exact Mass394.03
IUPAC Name7-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
SMILESO=C1c2c(n(Cc3ccc(Cl)cc3)c3c(Cl)cccc3c2=O)-c2cccn21
InChIInChI=1S/C21H12Cl2N2O2/c22-13-8-6-12(7-9-13)11-25-18-14(3-1-4-15(18)23)20(26)17-19(25)16-5-2-10-24(16)21(17)27/h1-10H,11H2
InChIKeyWAKZNEBSWVEWPC-UHFFFAOYSA-N
XLogP4.83
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
2-[[4-(2-isocyanophenyl)phenyl]methyl]-2,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-9,16-dione
CID 155762150
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
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-benzyl-2,7-dichloroindole-3-carbaldehyde
CID 82269368
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione
CID 771877
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione
CID 10568171

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1c2c(n(Cc3ccc(Cl)cc3)c3c(Cl)cccc3c2=O)-c2cccn21.
What is the InChIKey of 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?
The InChIKey is WAKZNEBSWVEWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2N2O2/c22-13-8-6-12(7-9-13)11-25-18-14(3-1-4-15(18)23)20(26)17-19(25)16-5-2-10-24(16)21(17)27/h1-10H,11H2.
What are the key properties of 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?
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 has a molecular weight of 395.25 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155762078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).