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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Related Compounds

2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile
CID 113463859
2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile
CID 167851131
2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
CID 102984509
2-(hydroxyamino)quinoline-3-carbonitrile
CID 130500627
3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 82813785
3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 103736415
3-methyl-N-[(2-methylcyclopentyl)methyl]quinolin-2-amine
CID 107419147
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812
3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile
CID 133324072
2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile
CID 114695703
3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile
CID 64911460
2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 62090102

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).