3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid

C20H16Cl2N2O2 — CID 11567228

IUPAC3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid
SMILESCc1ccc2c(c1)CCCc1c(C(=O)O)nn(-c3ccc(Cl)cc3Cl)c1-2
InChIInChI=1S/C20H16Cl2N2O2/c1-11-5-7-14-12(9-11)3-2-4-15-18(20(25)26)23-24(19(14)15)17-8-6-13(21)10-16(17)22/h5-10H,2-4H2,1H3,(H,25,26)
InChIKeyMHDJMMBEEVSCNR-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.34
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid

3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid (PubChem CID 11567228) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid
PubChem CID11567228
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC Name3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid
SMILESCc1ccc2c(c1)CCCc1c(C(=O)O)nn(-c3ccc(Cl)cc3Cl)c1-2
InChIInChI=1S/C20H16Cl2N2O2/c1-11-5-7-14-12(9-11)3-2-4-15-18(20(25)26)23-24(19(14)15)17-8-6-13(21)10-16(17)22/h5-10H,2-4H2,1H3,(H,25,26)
InChIKeyMHDJMMBEEVSCNR-UHFFFAOYSA-N
XLogP5.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid with MolForge

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Related Compounds

12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
CID 11548078
ethyl 3-(2,4-dichlorophenyl)-12-(3-hydroxyprop-1-ynyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylate
CID 134840662
(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-indazole-3-carboxylic acid
CID 59836254
1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 11612069
12-chloro-3-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
CID 46896277
6-bromo-7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid
CID 11547463
1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide
CID 10994138
4-[4-[1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl]benzoic acid
CID 155542177
1-(4-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 61288079
1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974111
N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24968637
1-(2,4-dimethylphenyl)-7-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid
CID 163942992

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid?
The IUPAC name of 3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid (CID 11567228) is 3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid?
The canonical SMILES for 3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid is Cc1ccc2c(c1)CCCc1c(C(=O)O)nn(-c3ccc(Cl)cc3Cl)c1-2.
What is the InChIKey of 3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid?
The InChIKey is MHDJMMBEEVSCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c1-11-5-7-14-12(9-11)3-2-4-15-18(20(25)26)23-24(19(14)15)17-8-6-13(21)10-16(17)22/h5-10H,2-4H2,1H3,(H,25,26).
What are the key properties of 3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid?
3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid has a molecular weight of 387.27 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid is sourced from PubChem (CID 11567228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).