2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile

C17H19N3O — CID 64911454

IUPAC2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NCC1CCCCC1O
InChIInChI=1S/C17H19N3O/c18-10-14-9-12-5-1-3-7-15(12)20-17(14)19-11-13-6-2-4-8-16(13)21/h1,3,5,7,9,13,16,21H,2,4,6,8,11H2,(H,19,20)
InChIKeyJNKQPODSIDUQNJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.07
Rot. Bonds3

About 2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile

2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile (PubChem CID 64911454) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile
PubChem CID64911454
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NCC1CCCCC1O
InChIInChI=1S/C17H19N3O/c18-10-14-9-12-5-1-3-7-15(12)20-17(14)19-11-13-6-2-4-8-16(13)21/h1,3,5,7,9,13,16,21H,2,4,6,8,11H2,(H,19,20)
InChIKeyJNKQPODSIDUQNJ-UHFFFAOYSA-N
XLogP3.07
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile (CID 64911454) is 2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1NCC1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile?
The InChIKey is JNKQPODSIDUQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-10-14-9-12-5-1-3-7-15(12)20-17(14)19-11-13-6-2-4-8-16(13)21/h1,3,5,7,9,13,16,21H,2,4,6,8,11H2,(H,19,20).
What are the key properties of 2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile?
2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 64911454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).