7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile

C18H15N3O2 — CID 3482999

IUPAC7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile
SMILESCOc1cccc(Nc2nc3cc(OC)ccc3cc2C#N)c1
InChIInChI=1S/C18H15N3O2/c1-22-15-5-3-4-14(9-15)20-18-13(11-19)8-12-6-7-16(23-2)10-17(12)21-18/h3-10H,1-2H3,(H,20,21)
InChIKeyFALPIUAALRVQIS-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.87
Rot. Bonds4

About 7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile

7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile (PubChem CID 3482999) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile
PubChem CID3482999
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile
SMILESCOc1cccc(Nc2nc3cc(OC)ccc3cc2C#N)c1
InChIInChI=1S/C18H15N3O2/c1-22-15-5-3-4-14(9-15)20-18-13(11-19)8-12-6-7-16(23-2)10-17(12)21-18/h3-10H,1-2H3,(H,20,21)
InChIKeyFALPIUAALRVQIS-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 7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile?
The IUPAC name of 7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile (CID 3482999) is 7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile?
The canonical SMILES for 7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile is COc1cccc(Nc2nc3cc(OC)ccc3cc2C#N)c1.
What is the InChIKey of 7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile?
The InChIKey is FALPIUAALRVQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-22-15-5-3-4-14(9-15)20-18-13(11-19)8-12-6-7-16(23-2)10-17(12)21-18/h3-10H,1-2H3,(H,20,21).
What are the key properties of 7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile?
7-methoxy-2-(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 7-methoxy-2-(3-methoxyanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 3482999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).