2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile

C18H15N3O — CID 865263

IUPAC2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile
SMILESCOc1ccc(Nc2nc3c(C)cccc3cc2C#N)cc1
InChIInChI=1S/C18H15N3O/c1-12-4-3-5-13-10-14(11-19)18(21-17(12)13)20-15-6-8-16(22-2)9-7-15/h3-10H,1-2H3,(H,20,21)
InChIKeyMJGQEGFZAJPQEE-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.17
Rot. Bonds3

About 2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile

2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile (PubChem CID 865263) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile
PubChem CID865263
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile
SMILESCOc1ccc(Nc2nc3c(C)cccc3cc2C#N)cc1
InChIInChI=1S/C18H15N3O/c1-12-4-3-5-13-10-14(11-19)18(21-17(12)13)20-15-6-8-16(22-2)9-7-15/h3-10H,1-2H3,(H,20,21)
InChIKeyMJGQEGFZAJPQEE-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 2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile?
The IUPAC name of 2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile (CID 865263) is 2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile is COc1ccc(Nc2nc3c(C)cccc3cc2C#N)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile?
The InChIKey is MJGQEGFZAJPQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-12-4-3-5-13-10-14(11-19)18(21-17(12)13)20-15-6-8-16(22-2)9-7-15/h3-10H,1-2H3,(H,20,21).
What are the key properties of 2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile?
2-(4-methoxyanilino)-8-methylquinoline-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 2-(4-methoxyanilino)-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 865263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).