2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile

C17H19N3O — CID 865254

IUPAC2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2cc(C#N)c(NC3CCCCC3)nc2c1
InChIInChI=1S/C17H19N3O/c1-21-15-8-7-12-9-13(11-18)17(20-16(12)10-15)19-14-5-3-2-4-6-14/h7-10,14H,2-6H2,1H3,(H,19,20)
InChIKeyFQZIKMSAOQBDTF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.86
Rot. Bonds3

About 2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile

2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile (PubChem CID 865254) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile
PubChem CID865254
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2cc(C#N)c(NC3CCCCC3)nc2c1
InChIInChI=1S/C17H19N3O/c1-21-15-8-7-12-9-13(11-18)17(20-16(12)10-15)19-14-5-3-2-4-6-14/h7-10,14H,2-6H2,1H3,(H,19,20)
InChIKeyFQZIKMSAOQBDTF-UHFFFAOYSA-N
XLogP3.86
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile?
The IUPAC name of 2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile (CID 865254) is 2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile is COc1ccc2cc(C#N)c(NC3CCCCC3)nc2c1.
What is the InChIKey of 2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile?
The InChIKey is FQZIKMSAOQBDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-21-15-8-7-12-9-13(11-18)17(20-16(12)10-15)19-14-5-3-2-4-6-14/h7-10,14H,2-6H2,1H3,(H,19,20).
What are the key properties of 2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile?
2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 865254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).