4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide

C21H24N4O2 — CID 171446242

IUPAC4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cc(O)c3nc(N)ccc3c2)cc1
InChIInChI=1S/C21H24N4O2/c1-25(2)11-3-10-23-21(27)15-6-4-14(5-7-15)17-12-16-8-9-19(22)24-20(16)18(26)13-17/h4-9,12-13,26H,3,10-11H2,1-2H3,(H2,22,24)(H,23,27)
InChIKeyQWRYHQJUSMUWQG-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.87
Rot. Bonds6

About 4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide

4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 171446242) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide
PubChem CID171446242
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cc(O)c3nc(N)ccc3c2)cc1
InChIInChI=1S/C21H24N4O2/c1-25(2)11-3-10-23-21(27)15-6-4-14(5-7-15)17-12-16-8-9-19(22)24-20(16)18(26)13-17/h4-9,12-13,26H,3,10-11H2,1-2H3,(H2,22,24)(H,23,27)
InChIKeyQWRYHQJUSMUWQG-UHFFFAOYSA-N
XLogP2.87
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide
CID 171446218
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
CID 15410383
3-bromo-N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446114
N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide
CID 171446127
N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446140
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide (CID 171446242) is 4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCNC(=O)c1ccc(-c2cc(O)c3nc(N)ccc3c2)cc1.
What is the InChIKey of 4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is QWRYHQJUSMUWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-25(2)11-3-10-23-21(27)15-6-4-14(5-7-15)17-12-16-8-9-19(22)24-20(16)18(26)13-17/h4-9,12-13,26H,3,10-11H2,1-2H3,(H2,22,24)(H,23,27).
What are the key properties of 4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide?
4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 171446242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).