15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one

C20H16ClN3O — CID 3359789

IUPAC15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one
SMILESO=C1c2cnn(-c3cccc(Cl)c3)c2CC2c3ccccc3CCN12
InChIInChI=1S/C20H16ClN3O/c21-14-5-3-6-15(10-14)24-19-11-18-16-7-2-1-4-13(16)8-9-23(18)20(25)17(19)12-22-24/h1-7,10,12,18H,8-9,11H2
InChIKeyASDMGXYDKTZBMI-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.82
Rot. Bonds1

About 15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one

15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one (PubChem CID 3359789) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one.

Molecular Properties

Compound Name15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one
PubChem CID3359789
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one
SMILESO=C1c2cnn(-c3cccc(Cl)c3)c2CC2c3ccccc3CCN12
InChIInChI=1S/C20H16ClN3O/c21-14-5-3-6-15(10-14)24-19-11-18-16-7-2-1-4-13(16)8-9-23(18)20(25)17(19)12-22-24/h1-7,10,12,18H,8-9,11H2
InChIKeyASDMGXYDKTZBMI-UHFFFAOYSA-N
XLogP3.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one?
The IUPAC name of 15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one (CID 3359789) is 15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one.
What is the SMILES notation for 15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one?
The canonical SMILES for 15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one is O=C1c2cnn(-c3cccc(Cl)c3)c2CC2c3ccccc3CCN12.
What is the InChIKey of 15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one?
The InChIKey is ASDMGXYDKTZBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c21-14-5-3-6-15(10-14)24-19-11-18-16-7-2-1-4-13(16)8-9-23(18)20(25)17(19)12-22-24/h1-7,10,12,18H,8-9,11H2.
What are the key properties of 15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one?
15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one has a molecular weight of 349.82 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one is sourced from PubChem (CID 3359789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).