7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile

C24H23N5O2 — CID 90825991

IUPAC7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile
SMILESCCCCC(O)c1nnc(NCc2ccc3c(-c4ccccc4)cc(C#N)nc3c2)o1
InChIInChI=1S/C24H23N5O2/c1-2-3-9-22(30)23-28-29-24(31-23)26-15-16-10-11-19-20(17-7-5-4-6-8-17)13-18(14-25)27-21(19)12-16/h4-8,10-13,22,30H,2-3,9,15H2,1H3,(H,26,29)
InChIKeyNIGMKHJPFYRAAV-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.99
Rot. Bonds8

About 7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile

7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile (PubChem CID 90825991) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile.

Molecular Properties

Compound Name7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile
PubChem CID90825991
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile
SMILESCCCCC(O)c1nnc(NCc2ccc3c(-c4ccccc4)cc(C#N)nc3c2)o1
InChIInChI=1S/C24H23N5O2/c1-2-3-9-22(30)23-28-29-24(31-23)26-15-16-10-11-19-20(17-7-5-4-6-8-17)13-18(14-25)27-21(19)12-16/h4-8,10-13,22,30H,2-3,9,15H2,1H3,(H,26,29)
InChIKeyNIGMKHJPFYRAAV-UHFFFAOYSA-N
XLogP4.99
TPSA107.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile
CID 16665692
4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile
CID 16665544
7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-thiadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile
CID 16665693
4-(4-fluorophenyl)-7-[[[5-[(1S)-1-hydroxypropyl]-1,3,4-oxadiazol-2-yl]amino]methyl]chromen-2-one
CID 143782542
4-(4-fluorophenyl)-7-[[[5-[hydroxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]chromen-2-one
CID 11855901
7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile
CID 25057928
7-(bromomethyl)-4-(furan-3-yl)quinoline-2-carbonitrile
CID 23370213
N-benzyl-5-butyl-1,3,4-oxadiazol-2-amine
CID 75446055
N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine
CID 11299717
7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile
CID 23370223
4-(4-fluorophenyl)-7-[[4-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]quinoline-2-carbonitrile
CID 67241683
N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960479

Frequently Asked Questions

What is the IUPAC name of 7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile?
The IUPAC name of 7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile (CID 90825991) is 7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile.
What is the SMILES notation for 7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile?
The canonical SMILES for 7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile is CCCCC(O)c1nnc(NCc2ccc3c(-c4ccccc4)cc(C#N)nc3c2)o1.
What is the InChIKey of 7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile?
The InChIKey is NIGMKHJPFYRAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-2-3-9-22(30)23-28-29-24(31-23)26-15-16-10-11-19-20(17-7-5-4-6-8-17)13-18(14-25)27-21(19)12-16/h4-8,10-13,22,30H,2-3,9,15H2,1H3,(H,26,29).
What are the key properties of 7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile?
7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile has a molecular weight of 413.48 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile is sourced from PubChem (CID 90825991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).