N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide

C20H22N4O3 — CID 171446218

IUPACN-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncc(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H22N4O3/c1-24(2)9-3-8-21-20(27)14-6-4-13(5-7-14)15-10-16-19(17(25)11-15)22-12-18(26)23-16/h4-7,10-12,25H,3,8-9H2,1-2H3,(H,21,27)(H,23,26)
InChIKeyZTRMLIZANGMZCI-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.98
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide

N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide (PubChem CID 171446218) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide
PubChem CID171446218
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncc(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H22N4O3/c1-24(2)9-3-8-21-20(27)14-6-4-13(5-7-14)15-10-16-19(17(25)11-15)22-12-18(26)23-16/h4-7,10-12,25H,3,8-9H2,1-2H3,(H,21,27)(H,23,26)
InChIKeyZTRMLIZANGMZCI-UHFFFAOYSA-N
XLogP1.98
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.98
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

4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 171446242
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
CID 15410383
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
CID 14903288
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
3-bromo-N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446114
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide
CID 138649534

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide (CID 171446218) is N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide is CN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncc(=O)[nH]c3c2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide?
The InChIKey is ZTRMLIZANGMZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-24(2)9-3-8-21-20(27)14-6-4-13(5-7-14)15-10-16-19(17(25)11-15)22-12-18(26)23-16/h4-7,10-12,25H,3,8-9H2,1-2H3,(H,21,27)(H,23,26).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide?
N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide has a molecular weight of 366.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide is sourced from PubChem (CID 171446218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).