4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile

C53H62N8O5 — CID 68531020

IUPAC4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c(C)cc1C.COc1cc2c(Nc3ccc(C)cc3C)c(C#N)cnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C27H32N4O3.C26H30N4O2/c1-17-10-18(2)24(32-4)12-22(17)30-27-20(14-28)15-29-23-13-26(25(33-5)11-21(23)27)34-16-19-6-8-31(3)9-7-19;1-17-5-6-22(18(2)11-17)29-26-20(14-27)15-28-23-13-25(24(31-4)12-21(23)26)32-16-19-7-9-30(3)10-8-19/h10-13,15,19H,6-9,16H2,1-5H3,(H,29,30);5-6,11-13,15,19H,7-10,16H2,1-4H3,(H,28,29)
InChIKeyAJOISFUQDZGGKL-UHFFFAOYSA-N
MW891.13 g/mol
LogP10.40
Rot. Bonds13

About 4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile

4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile (PubChem CID 68531020) has the molecular formula C53H62N8O5 and a molecular weight of 891.13 g/mol. Its IUPAC name is 4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile
PubChem CID68531020
Molecular FormulaC53H62N8O5
Molecular Weight891.13 g/mol
Exact Mass890.48
IUPAC Name4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c(C)cc1C.COc1cc2c(Nc3ccc(C)cc3C)c(C#N)cnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C27H32N4O3.C26H30N4O2/c1-17-10-18(2)24(32-4)12-22(17)30-27-20(14-28)15-29-23-13-26(25(33-5)11-21(23)27)34-16-19-6-8-31(3)9-7-19;1-17-5-6-22(18(2)11-17)29-26-20(14-27)15-28-23-13-25(24(31-4)12-21(23)26)32-16-19-7-9-30(3)10-8-19/h10-13,15,19H,6-9,16H2,1-5H3,(H,29,30);5-6,11-13,15,19H,7-10,16H2,1-4H3,(H,28,29)
InChIKeyAJOISFUQDZGGKL-UHFFFAOYSA-N
XLogP10.40
TPSA150.05 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500891.13
LogP ≤ 510.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-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

ethane;4-(5-ethoxy-2,4-dimethylanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile;methane;propane
CID 144983344
4-(2,4-dichloro-5-methoxyanilino)-6-ethoxy-7-[2-(1-methylpiperidin-4-yl)ethoxy]quinoline-3-carbonitrile
CID 10346868
4-(4-chloro-5-methoxy-2-methylanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
CID 118680025
4-(2-hydroxy-4-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466676
4-(3,4-dichloro-2-fluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)oxyquinoline-3-carbonitrile
CID 139443770
4-(2,4-dihydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466547
4-(2-chloro-5-methoxy-4-methylanilino)-8-[2-(4-hydroxypiperidin-1-yl)ethoxy]-7-methoxybenzo[g]quinoline-3-carbonitrile
CID 5330441
2-amino-5-methoxy-4-[(1-methylpiperidin-4-yl)methoxy]benzonitrile
CID 22349664
4-(4-chloro-2-fluoroanilino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 10140112
7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 21035063
4-(2,4-dimethylanilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]quinoline-3-carbonitrile
CID 23438118
4-(4-amino-3,5-diiodoanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
CID 72700331

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile?
The IUPAC name of 4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile (CID 68531020) is 4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile.
What is the SMILES notation for 4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile?
The canonical SMILES for 4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile is COc1cc(Nc2c(C#N)cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c(C)cc1C.COc1cc2c(Nc3ccc(C)cc3C)c(C#N)cnc2cc1OCC1CCN(C)CC1.
What is the InChIKey of 4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile?
The InChIKey is AJOISFUQDZGGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3.C26H30N4O2/c1-17-10-18(2)24(32-4)12-22(17)30-27-20(14-28)15-29-23-13-26(25(33-5)11-21(23)27)34-16-19-6-8-31(3)9-7-19;1-17-5-6-22(18(2)11-17)29-26-20(14-27)15-28-23-13-25(24(31-4)12-21(23)26)32-16-19-7-9-30(3)10-8-19/h10-13,15,19H,6-9,16H2,1-5H3,(H,29,30);5-6,11-13,15,19H,7-10,16H2,1-4H3,(H,28,29).
What are the key properties of 4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile?
4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile has a molecular weight of 891.13 g/mol, XLogP of 10.40, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile;6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile is sourced from PubChem (CID 68531020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).