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

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

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Related Compounds

2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133472742
6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile
CID 133309917
6-chloro-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]quinoline-4-carbonitrile
CID 133429186
2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376301
6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 133426490
6-chloro-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]quinoline-4-carbonitrile
CID 133428808
2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile
CID 99857872
6-nitro-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]quinoline-4-carbonitrile
CID 133328242
6-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]quinoline-4-carbonitrile
CID 133434714
6-chloro-2-[(1-cyclopropylbenzimidazol-2-yl)methylamino]quinoline-4-carbonitrile
CID 133466696
2-(oxan-4-ylamino)quinoline-4-carbonitrile
CID 63885816
2-[4-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376350

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).