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

C27H32N4O3 — CID 5330092

IUPAC6-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
InChIInChI=1S/C27H32N4O3/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/h10-13,15,19H,6-9,16H2,1-5H3,(H,29,30)
InChIKeyYAFBWUKWKZZPIF-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.20
Rot. Bonds7

About 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-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 5330092) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile
PubChem CID5330092
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name6-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
InChIInChI=1S/C27H32N4O3/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/h10-13,15,19H,6-9,16H2,1-5H3,(H,29,30)
InChIKeyYAFBWUKWKZZPIF-UHFFFAOYSA-N
XLogP5.20
TPSA79.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

CID 5328940
CID 5328940
CID 5328941
CID 5328941
CID 5330083
CID 5330083
CID 5330440
CID 5330440
CID 5330444
CID 5330444
CID 5330445
CID 5330445
CID 17754396
CID 17754396
CID 9850161
CID 9850161
CID 5330468
CID 5330468
CID 5328838
CID 5328838
CID 5328839
CID 5328839
CID 5328840
CID 5328840

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile (CID 5330092) is 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile?
The canonical SMILES for 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.
What is the InChIKey of 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile?
The InChIKey is YAFBWUKWKZZPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/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/h10-13,15,19H,6-9,16H2,1-5H3,(H,29,30).
What are the key properties of 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-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 460.58 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile is sourced from PubChem (CID 5330092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).