[3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone

C25H30N4O2 — CID 70679265

IUPAC[3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone
SMILESCN(C)CCCN1CCCN(C(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)C1
InChIInChI=1S/C25H30N4O2/c1-27(2)11-5-12-28-13-6-14-29(18-28)25(31)21-8-3-7-19(15-21)22-16-20-9-4-10-26-24(20)23(30)17-22/h3-4,7-10,15-17,30H,5-6,11-14,18H2,1-2H3
InChIKeyWMMMBYUNCSQOME-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.66
Rot. Bonds6

About [3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone

[3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone (PubChem CID 70679265) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is [3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone
PubChem CID70679265
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name[3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone
SMILESCN(C)CCCN1CCCN(C(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)C1
InChIInChI=1S/C25H30N4O2/c1-27(2)11-5-12-28-13-6-14-29(18-28)25(31)21-8-3-7-19(15-21)22-16-20-9-4-10-26-24(20)23(30)17-22/h3-4,7-10,15-17,30H,5-6,11-14,18H2,1-2H3
InChIKeyWMMMBYUNCSQOME-UHFFFAOYSA-N
XLogP3.66
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone with MolForge

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Related Compounds

8-Quinolinol, benzoate (1:1)
CID 62626
ML324
CID 44143209
n-[(8-Hydroxyquinolin-7-yl)(phenyl)methyl]benzamide
CID 2871881
N-[(8-Hydroxyquinolin-7-YL)(4-methylphenyl)methyl]benzamide
CID 2871966
N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide
CID 45112798
N-[6-(Dimethylamino)hexyl]-3-(8-hydroxyquinolin-6-yl)benzamide
CID 89564218
3-(8-Hydroxyquinolin-6-YL)-N-(3-phenylpropyl)benzamide
CID 127030711
[4-(2-Hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone
CID 24687428
[4-(2-Hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 24687529
CID 44143204
CID 44143204
CID 44143208
CID 44143208
6-[3-[1-[(3-Hydroxyphenyl)methyl]piperidin-4-yl]propanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-11-one
CID 53326131

Frequently Asked Questions

What is the IUPAC name of [3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone?
The IUPAC name of [3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone (CID 70679265) is [3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone.
What is the SMILES notation for [3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone?
The canonical SMILES for [3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone is CN(C)CCCN1CCCN(C(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)C1.
What is the InChIKey of [3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone?
The InChIKey is WMMMBYUNCSQOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-27(2)11-5-12-28-13-6-14-29(18-28)25(31)21-8-3-7-19(15-21)22-16-20-9-4-10-26-24(20)23(30)17-22/h3-4,7-10,15-17,30H,5-6,11-14,18H2,1-2H3.
What are the key properties of [3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone?
[3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone has a molecular weight of 418.54 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone is sourced from PubChem (CID 70679265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).