6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile

C21H21N3O3 — CID 5328927

IUPAC6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c(C)cc1C
InChIInChI=1S/C21H21N3O3/c1-12-6-13(2)18(25-3)8-16(12)24-21-14(10-22)11-23-17-9-20(27-5)19(26-4)7-15(17)21/h6-9,11H,1-5H3,(H,23,24)
InChIKeyVNNQQRZBGCTADT-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.49
Rot. Bonds5

About 6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile

6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile (PubChem CID 5328927) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile
PubChem CID5328927
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c(C)cc1C
InChIInChI=1S/C21H21N3O3/c1-12-6-13(2)18(25-3)8-16(12)24-21-14(10-22)11-23-17-9-20(27-5)19(26-4)7-15(17)21/h6-9,11H,1-5H3,(H,23,24)
InChIKeyVNNQQRZBGCTADT-UHFFFAOYSA-N
XLogP4.49
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile?
The IUPAC name of 6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile (CID 5328927) is 6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile?
The canonical SMILES for 6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile is COc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c(C)cc1C.
What is the InChIKey of 6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile?
The InChIKey is VNNQQRZBGCTADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-12-6-13(2)18(25-3)8-16(12)24-21-14(10-22)11-23-17-9-20(27-5)19(26-4)7-15(17)21/h6-9,11H,1-5H3,(H,23,24).
What are the key properties of 6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile?
6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile has a molecular weight of 363.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(5-methoxy-2,4-dimethylanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 5328927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).