(4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide

C39H42N6O4 — CID 167940756

IUPAC(4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide
SMILESCOc1cc(/C=C2/CC(C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)NC2CCCc3cc(-c4nn[nH]n4)ccc32)cc(OC)c1OC
InChIInChI=1S/C39H42N6O4/c1-39(2,3)26-20-25(16-22-17-32(47-4)36(49-6)33(18-22)48-5)35-29(21-26)34(28-11-7-8-12-31(28)40-35)38(46)41-30-13-9-10-23-19-24(14-15-27(23)30)37-42-44-45-43-37/h7-8,11-12,14-19,26,30H,9-10,13,20-21H2,1-6H3,(H,41,46)(H,42,43,44,45)/b25-16-
InChIKeyJQOQISAODSPOKE-XYGWBWBKSA-N
MW658.80 g/mol
LogP7.40
Rot. Bonds7

About (4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide

(4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide (PubChem CID 167940756) has the molecular formula C39H42N6O4 and a molecular weight of 658.80 g/mol. Its IUPAC name is (4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide.

Molecular Properties

Compound Name(4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide
PubChem CID167940756
Molecular FormulaC39H42N6O4
Molecular Weight658.80 g/mol
Exact Mass658.33
IUPAC Name(4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide
SMILESCOc1cc(/C=C2/CC(C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)NC2CCCc3cc(-c4nn[nH]n4)ccc32)cc(OC)c1OC
InChIInChI=1S/C39H42N6O4/c1-39(2,3)26-20-25(16-22-17-32(47-4)36(49-6)33(18-22)48-5)35-29(21-26)34(28-11-7-8-12-31(28)40-35)38(46)41-30-13-9-10-23-19-24(14-15-27(23)30)37-42-44-45-43-37/h7-8,11-12,14-19,26,30H,9-10,13,20-21H2,1-6H3,(H,41,46)(H,42,43,44,45)/b25-16-
InChIKeyJQOQISAODSPOKE-XYGWBWBKSA-N
XLogP7.40
TPSA124.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.80
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide?
The IUPAC name of (4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide (CID 167940756) is (4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide.
What is the SMILES notation for (4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide?
The canonical SMILES for (4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide is COc1cc(/C=C2/CC(C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)NC2CCCc3cc(-c4nn[nH]n4)ccc32)cc(OC)c1OC.
What is the InChIKey of (4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide?
The InChIKey is JQOQISAODSPOKE-XYGWBWBKSA-N. The full InChI is InChI=1S/C39H42N6O4/c1-39(2,3)26-20-25(16-22-17-32(47-4)36(49-6)33(18-22)48-5)35-29(21-26)34(28-11-7-8-12-31(28)40-35)38(46)41-30-13-9-10-23-19-24(14-15-27(23)30)37-42-44-45-43-37/h7-8,11-12,14-19,26,30H,9-10,13,20-21H2,1-6H3,(H,41,46)(H,42,43,44,45)/b25-16-.
What are the key properties of (4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide?
(4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide has a molecular weight of 658.80 g/mol, XLogP of 7.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-tert-butyl-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide is sourced from PubChem (CID 167940756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).