4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile

C24H25N3O2 — CID 22054501

IUPAC4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile
SMILESCOC1CCN(c2cc(C)nc3cc(COc4ccc(C#N)cc4)c(C)cc23)C1
InChIInChI=1S/C24H25N3O2/c1-16-10-22-23(12-19(16)15-29-20-6-4-18(13-25)5-7-20)26-17(2)11-24(22)27-9-8-21(14-27)28-3/h4-7,10-12,21H,8-9,14-15H2,1-3H3
InChIKeyMEWQPDIXVANNDM-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.53
Rot. Bonds5

About 4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile

4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile (PubChem CID 22054501) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile
PubChem CID22054501
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile
SMILESCOC1CCN(c2cc(C)nc3cc(COc4ccc(C#N)cc4)c(C)cc23)C1
InChIInChI=1S/C24H25N3O2/c1-16-10-22-23(12-19(16)15-29-20-6-4-18(13-25)5-7-20)26-17(2)11-24(22)27-9-8-21(14-27)28-3/h4-7,10-12,21H,8-9,14-15H2,1-3H3
InChIKeyMEWQPDIXVANNDM-UHFFFAOYSA-N
XLogP4.53
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile?
The IUPAC name of 4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile (CID 22054501) is 4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile.
What is the SMILES notation for 4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile?
The canonical SMILES for 4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile is COC1CCN(c2cc(C)nc3cc(COc4ccc(C#N)cc4)c(C)cc23)C1.
What is the InChIKey of 4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile?
The InChIKey is MEWQPDIXVANNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16-10-22-23(12-19(16)15-29-20-6-4-18(13-25)5-7-20)26-17(2)11-24(22)27-9-8-21(14-27)28-3/h4-7,10-12,21H,8-9,14-15H2,1-3H3.
What are the key properties of 4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile?
4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile has a molecular weight of 387.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile is sourced from PubChem (CID 22054501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).