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

C26H30N4O3 — CID 5330090

IUPAC6-methoxy-4-(5-methoxy-2-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile
SMILESCOc1ccc(C)c(Nc2c(C#N)cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1
InChIInChI=1S/C26H30N4O3/c1-17-5-6-20(31-3)11-22(17)29-26-19(14-27)15-28-23-13-25(24(32-4)12-21(23)26)33-16-18-7-9-30(2)10-8-18/h5-6,11-13,15,18H,7-10,16H2,1-4H3,(H,28,29)
InChIKeyYQWRDEHPSFGGHV-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.90
Rot. Bonds7

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

6-methoxy-4-(5-methoxy-2-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile (PubChem CID 5330090) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 6-methoxy-4-(5-methoxy-2-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-4-(5-methoxy-2-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile
PubChem CID5330090
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name6-methoxy-4-(5-methoxy-2-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile
SMILESCOc1ccc(C)c(Nc2c(C#N)cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1
InChIInChI=1S/C26H30N4O3/c1-17-5-6-20(31-3)11-22(17)29-26-19(14-27)15-28-23-13-25(24(32-4)12-21(23)26)33-16-18-7-9-30(2)10-8-18/h5-6,11-13,15,18H,7-10,16H2,1-4H3,(H,28,29)
InChIKeyYQWRDEHPSFGGHV-UHFFFAOYSA-N
XLogP4.90
TPSA79.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(5-methoxy-2-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-4-(5-methoxy-2-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile (CID 5330090) is 6-methoxy-4-(5-methoxy-2-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-4-(5-methoxy-2-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-4-(5-methoxy-2-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile is COc1ccc(C)c(Nc2c(C#N)cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1.
What is the InChIKey of 6-methoxy-4-(5-methoxy-2-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile?
The InChIKey is YQWRDEHPSFGGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-17-5-6-20(31-3)11-22(17)29-26-19(14-27)15-28-23-13-25(24(32-4)12-21(23)26)33-16-18-7-9-30(2)10-8-18/h5-6,11-13,15,18H,7-10,16H2,1-4H3,(H,28,29).
What are the key properties of 6-methoxy-4-(5-methoxy-2-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile?
6-methoxy-4-(5-methoxy-2-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile has a molecular weight of 446.55 g/mol, XLogP of 4.90, 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-methylanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile is sourced from PubChem (CID 5330090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).