7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile

C24H21N5O — CID 25057928

IUPAC7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)c2ccc(Cn3cc(C4(O)CCCC4)nn3)cc2n1
InChIInChI=1S/C24H21N5O/c25-14-19-13-21(18-6-2-1-3-7-18)20-9-8-17(12-22(20)26-19)15-29-16-23(27-28-29)24(30)10-4-5-11-24/h1-3,6-9,12-13,16,30H,4-5,10-11,15H2
InChIKeyCAUCKYZPQMWIIS-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.17
Rot. Bonds4

About 7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile

7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile (PubChem CID 25057928) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile.

Molecular Properties

Compound Name7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile
PubChem CID25057928
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)c2ccc(Cn3cc(C4(O)CCCC4)nn3)cc2n1
InChIInChI=1S/C24H21N5O/c25-14-19-13-21(18-6-2-1-3-7-18)20-9-8-17(12-22(20)26-19)15-29-16-23(27-28-29)24(30)10-4-5-11-24/h1-3,6-9,12-13,16,30H,4-5,10-11,15H2
InChIKeyCAUCKYZPQMWIIS-UHFFFAOYSA-N
XLogP4.17
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)-7-[[4-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]quinoline-2-carbonitrile
CID 67241683
7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-thiadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile
CID 16665693
4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile
CID 16665544
4-(2-methyl-1,3-oxazol-4-yl)-7-[[4-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]quinoline-2-carbonitrile
CID 66790903
7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile
CID 90825991
7-(bromomethyl)-4-(furan-3-yl)quinoline-2-carbonitrile
CID 23370213
7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile
CID 23370223
1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol
CID 141217153
(3R)-1-[(3-methoxyphenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486038
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128969366
2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide
CID 146144482
[4-[(4-phenyltriazol-1-yl)methyl]phenyl]borinic acid
CID 143877814

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile?
The IUPAC name of 7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile (CID 25057928) is 7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile.
What is the SMILES notation for 7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile?
The canonical SMILES for 7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile is N#Cc1cc(-c2ccccc2)c2ccc(Cn3cc(C4(O)CCCC4)nn3)cc2n1.
What is the InChIKey of 7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile?
The InChIKey is CAUCKYZPQMWIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c25-14-19-13-21(18-6-2-1-3-7-18)20-9-8-17(12-22(20)26-19)15-29-16-23(27-28-29)24(30)10-4-5-11-24/h1-3,6-9,12-13,16,30H,4-5,10-11,15H2.
What are the key properties of 7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile?
7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile has a molecular weight of 395.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile is sourced from PubChem (CID 25057928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).