6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one

C14H7Cl2NO — CID 59927631

IUPAC6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one
SMILESO=c1c2ccc(Cl)cc2ccc2cc(Cl)cnc12
InChIInChI=1S/C14H7Cl2NO/c15-10-3-4-12-8(5-10)1-2-9-6-11(16)7-17-13(9)14(12)18/h1-7H
InChIKeyLADFEBGBSUACQW-UHFFFAOYSA-N
MW276.12 g/mol
LogP4.05
Rot. Bonds

About 6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one

6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one (PubChem CID 59927631) has the molecular formula C14H7Cl2NO and a molecular weight of 276.12 g/mol. Its IUPAC name is 6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one.

Molecular Properties

Compound Name6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one
PubChem CID59927631
Molecular FormulaC14H7Cl2NO
Molecular Weight276.12 g/mol
Exact Mass274.99
IUPAC Name6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one
SMILESO=c1c2ccc(Cl)cc2ccc2cc(Cl)cnc12
InChIInChI=1S/C14H7Cl2NO/c15-10-3-4-12-8(5-10)1-2-9-6-11(16)7-17-13(9)14(12)18/h1-7H
InChIKeyLADFEBGBSUACQW-UHFFFAOYSA-N
XLogP4.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one with MolForge

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Related Compounds

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CID 24746912
(E)-1-(3-chlorophenyl)-3-pyridin-3-ylprop-2-en-1-one
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Anti-infective agent 2
CID 162643643
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CID 9816260
2-Benzoyl-3-chloro-5-(trifluoromethyl)pyridine
CID 1483143
[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](2,4-dichlorophenyl)methanone
CID 3743943
1-[2-(4-Chlorophenyl)-1-methyl-2-oxoethyl]-3,5-dimethylpyridinium bromide
CID 2846985
1-[2-(4-Chlorophenyl)-1-methyl-2-oxoethyl]-4-methylpyridinium bromide
CID 2847689
1-[2-(4-Chlorophenyl)-1-methyl-2-oxoethyl]-3-methylpyridinium bromide
CID 2848315

Frequently Asked Questions

What is the IUPAC name of 6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one?
The IUPAC name of 6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one (CID 59927631) is 6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one.
What is the SMILES notation for 6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one?
The canonical SMILES for 6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one is O=c1c2ccc(Cl)cc2ccc2cc(Cl)cnc12.
What is the InChIKey of 6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one?
The InChIKey is LADFEBGBSUACQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO/c15-10-3-4-12-8(5-10)1-2-9-6-11(16)7-17-13(9)14(12)18/h1-7H.
What are the key properties of 6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one?
6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one has a molecular weight of 276.12 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one is sourced from PubChem (CID 59927631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).