4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

C17H14Cl2N2 — CID 20967071

IUPAC4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESCc1ccc2n1CCn1cc(-c3ccc(Cl)cc3Cl)cc1-2
InChIInChI=1S/C17H14Cl2N2/c1-11-2-5-16-17-8-12(10-20(17)6-7-21(11)16)14-4-3-13(18)9-15(14)19/h2-5,8-10H,6-7H2,1H3
InChIKeyXTCVIUHRWKWVPR-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.25
Rot. Bonds1

About 4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (PubChem CID 20967071) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
PubChem CID20967071
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESCc1ccc2n1CCn1cc(-c3ccc(Cl)cc3Cl)cc1-2
InChIInChI=1S/C17H14Cl2N2/c1-11-2-5-16-17-8-12(10-20(17)6-7-21(11)16)14-4-3-13(18)9-15(14)19/h2-5,8-10H,6-7H2,1H3
InChIKeyXTCVIUHRWKWVPR-UHFFFAOYSA-N
XLogP5.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 772855
2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene
CID 130359097
5-(2,4-dichlorophenyl)-2-methylpyridine
CID 57069565
6-(2,4-dichlorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 14145100
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
5-(2,4-dichlorophenyl)-3-methylpyridazine
CID 11958263
2-(2,4-dichlorophenyl)-1,4,5-trimethylimidazole
CID 102416631
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
1-(2,4-dichlorophenyl)-2,5-dimethylpyrrole
CID 4771829
4-(2,4-dichlorophenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)benzonitrile
CID 10884336
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The IUPAC name of 4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (CID 20967071) is 4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The canonical SMILES for 4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is Cc1ccc2n1CCn1cc(-c3ccc(Cl)cc3Cl)cc1-2.
What is the InChIKey of 4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The InChIKey is XTCVIUHRWKWVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-11-2-5-16-17-8-12(10-20(17)6-7-21(11)16)14-4-3-13(18)9-15(14)19/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene has a molecular weight of 317.22 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-10-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is sourced from PubChem (CID 20967071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).