4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile

C19H19N5O — CID 146113085

IUPAC4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C19H19N5O/c20-9-14-10-22-16-4-2-1-3-15(16)19(14)23-17-7-13(8-18(17)25)11-24-6-5-21-12-24/h1-6,10,12-13,17-18,25H,7-8,11H2,(H,22,23)/t13?,17-,18-/m1/s1
InChIKeyHWLDRZYPGCKSHS-NGKGQXKNSA-N
MW333.39 g/mol
LogP2.55
Rot. Bonds4

About 4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile

4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile (PubChem CID 146113085) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile
PubChem CID146113085
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C19H19N5O/c20-9-14-10-22-16-4-2-1-3-15(16)19(14)23-17-7-13(8-18(17)25)11-24-6-5-21-12-24/h1-6,10,12-13,17-18,25H,7-8,11H2,(H,22,23)/t13?,17-,18-/m1/s1
InChIKeyHWLDRZYPGCKSHS-NGKGQXKNSA-N
XLogP2.55
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile
CID 146113086
3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile
CID 154800415
trans-(1R,2R)-2-[[3-(hydroxymethyl)-4-pyridinyl]amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167883166
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile
CID 43668939
trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167771937
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[8-(trifluoromethyl)quinazolin-4-yl]amino]cyclopentan-1-ol
CID 146113061
4-[(2-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668956
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 154802873
4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668993
trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167847437
trans-(1R,2R)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167896963
4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 84598886

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile?
The IUPAC name of 4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile (CID 146113085) is 4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1N[C@@H]1CC(Cn2ccnc2)C[C@H]1O.
What is the InChIKey of 4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile?
The InChIKey is HWLDRZYPGCKSHS-NGKGQXKNSA-N. The full InChI is InChI=1S/C19H19N5O/c20-9-14-10-22-16-4-2-1-3-15(16)19(14)23-17-7-13(8-18(17)25)11-24-6-5-21-12-24/h1-6,10,12-13,17-18,25H,7-8,11H2,(H,22,23)/t13?,17-,18-/m1/s1.
What are the key properties of 4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile?
4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile has a molecular weight of 333.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile is sourced from PubChem (CID 146113085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).