5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile

C19H17F2N5O — CID 146113086

IUPAC5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(F)ccc(F)c2c1N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C19H17F2N5O/c20-13-1-2-14(21)19-17(13)18(12(7-22)8-24-19)25-15-5-11(6-16(15)27)9-26-4-3-23-10-26/h1-4,8,10-11,15-16,27H,5-6,9H2,(H,24,25)/t11?,15-,16-/m1/s1
InChIKeyMDTPOCLFNGXZPI-HJWAUIETSA-N
MW369.38 g/mol
LogP2.83
Rot. Bonds4

About 5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile

5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile (PubChem CID 146113086) has the molecular formula C19H17F2N5O and a molecular weight of 369.38 g/mol. Its IUPAC name is 5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile
PubChem CID146113086
Molecular FormulaC19H17F2N5O
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(F)ccc(F)c2c1N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C19H17F2N5O/c20-13-1-2-14(21)19-17(13)18(12(7-22)8-24-19)25-15-5-11(6-16(15)27)9-26-4-3-23-10-26/h1-4,8,10-11,15-16,27H,5-6,9H2,(H,24,25)/t11?,15-,16-/m1/s1
InChIKeyMDTPOCLFNGXZPI-HJWAUIETSA-N
XLogP2.83
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile with MolForge

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Related Compounds

(2-Imidazol-1-yl-quinazolin-4-yl)-(tetrahydro-furan-2-ylmethyl)-amine; dihydrochloride
CID 10017397
Example 15
CID 130296784
(S)-(1-(4-((1-phenyl-1H-imidazol-4-yl)amino)quinazolin-2-yl)pyrrolidin-2-yl)methanol
CID 137363022
2-[3-[2-[[(2R)-2-hydroxypropyl]amino]pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile
CID 172440873
US20250042857, Example B-77
CID 169683509
US20250042857, Example B-78
CID 169683511
3-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 60199271
(1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 71212869
1-[1-[3-(2,2,2-Trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 71212870
[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol
CID 71229506
3-[[6-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 72680421
[1-[3-(2,2,2-Trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol
CID 78042337

Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile?
The IUPAC name of 5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile (CID 146113086) is 5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile.
What is the SMILES notation for 5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile?
The canonical SMILES for 5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile is N#Cc1cnc2c(F)ccc(F)c2c1N[C@@H]1CC(Cn2ccnc2)C[C@H]1O.
What is the InChIKey of 5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile?
The InChIKey is MDTPOCLFNGXZPI-HJWAUIETSA-N. The full InChI is InChI=1S/C19H17F2N5O/c20-13-1-2-14(21)19-17(13)18(12(7-22)8-24-19)25-15-5-11(6-16(15)27)9-26-4-3-23-10-26/h1-4,8,10-11,15-16,27H,5-6,9H2,(H,24,25)/t11?,15-,16-/m1/s1.
What are the key properties of 5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile?
5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile has a molecular weight of 369.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile is sourced from PubChem (CID 146113086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).