4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile

C22H23N3O5 — CID 5330469

IUPAC4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCCOc1c(OC)cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C22H23N3O5/c1-6-30-22-19(28-4)7-14(8-20(22)29-5)25-21-13(11-23)12-24-16-10-18(27-3)17(26-2)9-15(16)21/h7-10,12H,6H2,1-5H3,(H,24,25)
InChIKeyAJHAZHZGPDMIEF-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.28
Rot. Bonds8

About 4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile

4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile (PubChem CID 5330469) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
PubChem CID5330469
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCCOc1c(OC)cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C22H23N3O5/c1-6-30-22-19(28-4)7-14(8-20(22)29-5)25-21-13(11-23)12-24-16-10-18(27-3)17(26-2)9-15(16)21/h7-10,12H,6H2,1-5H3,(H,24,25)
InChIKeyAJHAZHZGPDMIEF-UHFFFAOYSA-N
XLogP4.28
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

Cabozantinib
CID 25102847
Octaverine
CID 68363
7-Methoxy-8-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[(3,4,5-trimethoxyphenyl)amino]benzo[g]quinoline-3-carbonitrile
CID 5330444
7-Methoxy-8-[2-(morpholin-4-yl)ethoxy]-4-[(3,4,5-trimethoxyphenyl)amino]benzo[g]quinoline-3-carbonitrile
CID 5330445
Ki-23057
CID 9850161
6,7-Dimethoxy-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330468
4-[(3-Bromophenyl)amino]-6,7-diethoxyquinoline-3-carbonitrile
CID 5328838
4-[(3-Chloro-4-fluorophenyl)amino]-6,7-diethoxyquinoline-3-carbonitrile
CID 5328839
4-[(3-Bromophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328840
4-[(3-Chlorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328841
4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843
4-[(3-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328844

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile (CID 5330469) is 4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile is CCOc1c(OC)cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1OC.
What is the InChIKey of 4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The InChIKey is AJHAZHZGPDMIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-6-30-22-19(28-4)7-14(8-20(22)29-5)25-21-13(11-23)12-24-16-10-18(27-3)17(26-2)9-15(16)21/h7-10,12H,6H2,1-5H3,(H,24,25).
What are the key properties of 4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile has a molecular weight of 409.44 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3,5-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile is sourced from PubChem (CID 5330469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).