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

C26H30N4O2 — CID 5330091

IUPAC4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile
SMILESCOc1cc2c(Nc3ccc(C)cc3C)c(C#N)cnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C26H30N4O2/c1-17-5-6-22(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/h5-6,11-13,15,19H,7-10,16H2,1-4H3,(H,28,29)
InChIKeyYCFQNCQMGGRGHM-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.20
Rot. Bonds6

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

4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile (PubChem CID 5330091) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-(2,4-dimethylanilino)-6-methoxy-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
PubChem CID5330091
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile
SMILESCOc1cc2c(Nc3ccc(C)cc3C)c(C#N)cnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C26H30N4O2/c1-17-5-6-22(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/h5-6,11-13,15,19H,7-10,16H2,1-4H3,(H,28,29)
InChIKeyYCFQNCQMGGRGHM-UHFFFAOYSA-N
XLogP5.20
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,4-dimethylanilino)-6-methoxy-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

CID 5328940
CID 5328940
CID 5328931
CID 5328931
CID 5328941
CID 5328941
CID 5330083
CID 5330083
CID 5330444
CID 5330444
CID 5330445
CID 5330445
CID 17754396
CID 17754396
CID 9850161
CID 9850161
CID 11990828
CID 11990828
CID 5330468
CID 5330468
CID 5328838
CID 5328838
CID 5328839
CID 5328839

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylanilino)-6-methoxy-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 (CID 5330091) is 4-(2,4-dimethylanilino)-6-methoxy-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?
The canonical SMILES for 4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile is 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?
The InChIKey is YCFQNCQMGGRGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-17-5-6-22(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/h5-6,11-13,15,19H,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?
4-(2,4-dimethylanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile has a molecular weight of 430.55 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 5330091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).