4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile

C16H17N3O — CID 43668939

IUPAC4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NC1CCC(O)CC1
InChIInChI=1S/C16H17N3O/c17-9-11-10-18-15-4-2-1-3-14(15)16(11)19-12-5-7-13(20)8-6-12/h1-4,10,12-13,20H,5-8H2,(H,18,19)
InChIKeyYBZZHDKJQRENMA-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.82
Rot. Bonds2

About 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile

4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile (PubChem CID 43668939) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile
PubChem CID43668939
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NC1CCC(O)CC1
InChIInChI=1S/C16H17N3O/c17-9-11-10-18-15-4-2-1-3-14(15)16(11)19-12-5-7-13(20)8-6-12/h1-4,10,12-13,20H,5-8H2,(H,18,19)
InChIKeyYBZZHDKJQRENMA-UHFFFAOYSA-N
XLogP2.82
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile (CID 43668939) is 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1NC1CCC(O)CC1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile?
The InChIKey is YBZZHDKJQRENMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-9-11-10-18-15-4-2-1-3-14(15)16(11)19-12-5-7-13(20)8-6-12/h1-4,10,12-13,20H,5-8H2,(H,18,19).
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile?
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 43668939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).