3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide

C22H25N3O3 — CID 122559927

IUPAC3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide
SMILESCC(O)(CCCO)CNC(=O)c1cccc(-c2cccc3c(N)ccnc23)c1
InChIInChI=1S/C22H25N3O3/c1-22(28,10-4-12-26)14-25-21(27)16-6-2-5-15(13-16)17-7-3-8-18-19(23)9-11-24-20(17)18/h2-3,5-9,11,13,26,28H,4,10,12,14H2,1H3,(H2,23,24)(H,25,27)
InChIKeyZOICSUCVUBUKTG-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.74
Rot. Bonds7

About 3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide

3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide (PubChem CID 122559927) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide.

Molecular Properties

Compound Name3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide
PubChem CID122559927
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide
SMILESCC(O)(CCCO)CNC(=O)c1cccc(-c2cccc3c(N)ccnc23)c1
InChIInChI=1S/C22H25N3O3/c1-22(28,10-4-12-26)14-25-21(27)16-6-2-5-15(13-16)17-7-3-8-18-19(23)9-11-24-20(17)18/h2-3,5-9,11,13,26,28H,4,10,12,14H2,1H3,(H2,23,24)(H,25,27)
InChIKeyZOICSUCVUBUKTG-UHFFFAOYSA-N
XLogP2.74
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide
CID 125167425
N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide
CID 125174711
4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide
CID 122568323
4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 122556634
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
CID 106139342
N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
CID 103713237
N-(2-hydroxy-2,5-dimethylhexyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111595875
N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 119073913
N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide
CID 103899419
N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57483005
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide?
The IUPAC name of 3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide (CID 122559927) is 3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide.
What is the SMILES notation for 3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide?
The canonical SMILES for 3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide is CC(O)(CCCO)CNC(=O)c1cccc(-c2cccc3c(N)ccnc23)c1.
What is the InChIKey of 3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide?
The InChIKey is ZOICSUCVUBUKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-22(28,10-4-12-26)14-25-21(27)16-6-2-5-15(13-16)17-7-3-8-18-19(23)9-11-24-20(17)18/h2-3,5-9,11,13,26,28H,4,10,12,14H2,1H3,(H2,23,24)(H,25,27).
What are the key properties of 3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide?
3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide is sourced from PubChem (CID 122559927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).