2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one

C16H11ClN2O — CID 10308283

IUPAC2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one
SMILESO=C1CCn2c(-c3cccc(Cl)c3)nc3cccc1c32
InChIInChI=1S/C16H11ClN2O/c17-11-4-1-3-10(9-11)16-18-13-6-2-5-12-14(20)7-8-19(16)15(12)13/h1-6,9H,7-8H2
InChIKeyBRSGYNLKJCZFBA-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.94
Rot. Bonds1

About 2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one

2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one (PubChem CID 10308283) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one
PubChem CID10308283
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one
SMILESO=C1CCn2c(-c3cccc(Cl)c3)nc3cccc1c32
InChIInChI=1S/C16H11ClN2O/c17-11-4-1-3-10(9-11)16-18-13-6-2-5-12-14(20)7-8-19(16)15(12)13/h1-6,9H,7-8H2
InChIKeyBRSGYNLKJCZFBA-UHFFFAOYSA-N
XLogP3.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dimethylfuran-2-yl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 58890844
2-(3-chloro-4-methoxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 139946198
2-(2-methyl-4-pyridinyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 20577048
2-(1H-indol-5-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 142654349
2-[5-(3-methylphenyl)furan-2-yl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 20779915
2-(4-benzoylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 139946204
2-chloro-10-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 67273101
1-(azepan-1-yl)-3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-one
CID 17002094
2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one
CID 11773959
2-[4-(2,4-dichlorobenzoyl)-1-methylpyrrol-2-yl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 139946185
2-(4-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-ol
CID 19038019
2-[2-(4-chlorophenyl)sulfanylphenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 139946230

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one?
The IUPAC name of 2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one (CID 10308283) is 2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one.
What is the SMILES notation for 2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one?
The canonical SMILES for 2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one is O=C1CCn2c(-c3cccc(Cl)c3)nc3cccc1c32.
What is the InChIKey of 2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one?
The InChIKey is BRSGYNLKJCZFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-11-4-1-3-10(9-11)16-18-13-6-2-5-12-14(20)7-8-19(16)15(12)13/h1-6,9H,7-8H2.
What are the key properties of 2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one?
2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one has a molecular weight of 282.73 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one is sourced from PubChem (CID 10308283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).