4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide

C20H19N3O2 — CID 171446017

IUPAC4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2ccc(-c3cc(O)c4ncccc4c3)cc2)C1
InChIInChI=1S/C20H19N3O2/c1-23-11-17(12-23)22-20(25)14-6-4-13(5-7-14)16-9-15-3-2-8-21-19(15)18(24)10-16/h2-10,17,24H,11-12H2,1H3,(H,22,25)
InChIKeyVCCLWEHRTGFGIT-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.65
Rot. Bonds3

About 4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide

4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide (PubChem CID 171446017) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide
PubChem CID171446017
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2ccc(-c3cc(O)c4ncccc4c3)cc2)C1
InChIInChI=1S/C20H19N3O2/c1-23-11-17(12-23)22-20(25)14-6-4-13(5-7-14)16-9-15-3-2-8-21-19(15)18(24)10-16/h2-10,17,24H,11-12H2,1H3,(H,22,25)
InChIKeyVCCLWEHRTGFGIT-UHFFFAOYSA-N
XLogP2.65
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 61465245
4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide
CID 176554954
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446140
3-bromo-N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446114
N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 51300002
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393860
6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)quinoline-8-carboxamide
CID 86772174
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
4-(3-chloro-2-pyridinyl)-N-cyclopropylbenzamide
CID 59673165
2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid
CID 176554971

Frequently Asked Questions

What is the IUPAC name of 4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide?
The IUPAC name of 4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide (CID 171446017) is 4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide.
What is the SMILES notation for 4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide?
The canonical SMILES for 4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide is CN1CC(NC(=O)c2ccc(-c3cc(O)c4ncccc4c3)cc2)C1.
What is the InChIKey of 4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide?
The InChIKey is VCCLWEHRTGFGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23-11-17(12-23)22-20(25)14-6-4-13(5-7-14)16-9-15-3-2-8-21-19(15)18(24)10-16/h2-10,17,24H,11-12H2,1H3,(H,22,25).
What are the key properties of 4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide?
4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide has a molecular weight of 333.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-hydroxyquinolin-6-yl)-N-(1-methylazetidin-3-yl)benzamide is sourced from PubChem (CID 171446017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).