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

C18H15N3O — CID 50768369

IUPAC6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
SMILESCOc1ccc2ncc(C#N)c(Nc3ccc(C)cc3)c2c1
InChIInChI=1S/C18H15N3O/c1-12-3-5-14(6-4-12)21-18-13(10-19)11-20-17-8-7-15(22-2)9-16(17)18/h3-9,11H,1-2H3,(H,20,21)
InChIKeyQEVZOZQNMQERLC-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.17
Rot. Bonds3

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

6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile (PubChem CID 50768369) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
PubChem CID50768369
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
SMILESCOc1ccc2ncc(C#N)c(Nc3ccc(C)cc3)c2c1
InChIInChI=1S/C18H15N3O/c1-12-3-5-14(6-4-12)21-18-13(10-19)11-20-17-8-7-15(22-2)9-16(17)18/h3-9,11H,1-2H3,(H,20,21)
InChIKeyQEVZOZQNMQERLC-UHFFFAOYSA-N
XLogP4.17
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile (CID 50768369) is 6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile is COc1ccc2ncc(C#N)c(Nc3ccc(C)cc3)c2c1.
What is the InChIKey of 6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile?
The InChIKey is QEVZOZQNMQERLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-12-3-5-14(6-4-12)21-18-13(10-19)11-20-17-8-7-15(22-2)9-16(17)18/h3-9,11H,1-2H3,(H,20,21).
What are the key properties of 6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile?
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 50768369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).