6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile

C18H15N3O2 — CID 50768424

IUPAC6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
SMILESCOc1cccc(Nc2c(C#N)cnc3ccc(OC)cc23)c1
InChIInChI=1S/C18H15N3O2/c1-22-14-5-3-4-13(8-14)21-18-12(10-19)11-20-17-7-6-15(23-2)9-16(17)18/h3-9,11H,1-2H3,(H,20,21)
InChIKeyHLLOPCLVAIHPEL-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.87
Rot. Bonds4

About 6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile

6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile (PubChem CID 50768424) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
PubChem CID50768424
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
SMILESCOc1cccc(Nc2c(C#N)cnc3ccc(OC)cc23)c1
InChIInChI=1S/C18H15N3O2/c1-22-14-5-3-4-13(8-14)21-18-12(10-19)11-20-17-7-6-15(23-2)9-16(17)18/h3-9,11H,1-2H3,(H,20,21)
InChIKeyHLLOPCLVAIHPEL-UHFFFAOYSA-N
XLogP3.87
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile (CID 50768424) is 6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile is COc1cccc(Nc2c(C#N)cnc3ccc(OC)cc23)c1.
What is the InChIKey of 6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile?
The InChIKey is HLLOPCLVAIHPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-22-14-5-3-4-13(8-14)21-18-12(10-19)11-20-17-7-6-15(23-2)9-16(17)18/h3-9,11H,1-2H3,(H,20,21).
What are the key properties of 6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile?
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 50768424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).