6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile

C21H25ClN4O — CID 133376469

IUPAC6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile
SMILESN#Cc1cc(NC2CCN(C3CCCCC3O)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C21H25ClN4O/c22-15-5-6-18-17(12-15)14(13-23)11-21(25-18)24-16-7-9-26(10-8-16)19-3-1-2-4-20(19)27/h5-6,11-12,16,19-20,27H,1-4,7-10H2,(H,24,25)
InChIKeyJUYPDVKIKQCXRN-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.94
Rot. Bonds3

About 6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile

6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile (PubChem CID 133376469) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile
PubChem CID133376469
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile
SMILESN#Cc1cc(NC2CCN(C3CCCCC3O)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C21H25ClN4O/c22-15-5-6-18-17(12-15)14(13-23)11-21(25-18)24-16-7-9-26(10-8-16)19-3-1-2-4-20(19)27/h5-6,11-12,16,19-20,27H,1-4,7-10H2,(H,24,25)
InChIKeyJUYPDVKIKQCXRN-UHFFFAOYSA-N
XLogP3.94
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile (CID 133376469) is 6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile is N#Cc1cc(NC2CCN(C3CCCCC3O)CC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile?
The InChIKey is JUYPDVKIKQCXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c22-15-5-6-18-17(12-15)14(13-23)11-21(25-18)24-16-7-9-26(10-8-16)19-3-1-2-4-20(19)27/h5-6,11-12,16,19-20,27H,1-4,7-10H2,(H,24,25).
What are the key properties of 6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile?
6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile has a molecular weight of 384.91 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile is sourced from PubChem (CID 133376469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).