N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide

C20H20ClN3O2 — CID 2922155

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCC(=O)NC(c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C20H20ClN3O2/c1-12(25)23-18(13-6-8-14(9-7-13)24(2)3)16-11-17(21)15-5-4-10-22-19(15)20(16)26/h4-11,18,26H,1-3H3,(H,23,25)
InChIKeyRWZYBQBQFVZGAD-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.89
Rot. Bonds4

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide (PubChem CID 2922155) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide
PubChem CID2922155
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCC(=O)NC(c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C20H20ClN3O2/c1-12(25)23-18(13-6-8-14(9-7-13)24(2)3)16-11-17(21)15-5-4-10-22-19(15)20(16)26/h4-11,18,26H,1-3H3,(H,23,25)
InChIKeyRWZYBQBQFVZGAD-UHFFFAOYSA-N
XLogP3.89
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-((5-chloro-8-hydroxyquinolin-7-yl)(phenyl)methyl)acetamide
CID 2921493
GNF-Pf-3257
CID 2876611
N-[(8-hydroxyquinolin-7-yl)(phenyl)methyl]pentanamide
CID 3129244
5-Chloro-7-((4-ethylpiperazin-1-yl)(pyridin-3-yl)methyl)quinolin-8-ol
CID 3516032
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-butyramide
CID 3129243
N-[(2,4-Dichloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-isobutyramide
CID 2920814
N-((8-hydroxyquinolin-7-yl)(4-isopropylphenyl)methyl)acetamide
CID 2921404
N-[(2,4-Dichloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-acetamide
CID 3136121
N-[(8-Hydroxy-quinolin-7-yl)-(4-isopropyl-phenyl)-methyl]-butyramide
CID 3136125
7-{(3-Chlorophenyl)[(6-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
CID 2895830
N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]pentanamide
CID 3129245
N-[(4-dimethylaminophenyl)-(8-hydroxy-7-quinolyl)methyl]pentanamide
CID 3129247

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide (CID 2922155) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide is CC(=O)NC(c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide?
The InChIKey is RWZYBQBQFVZGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-12(25)23-18(13-6-8-14(9-7-13)24(2)3)16-11-17(21)15-5-4-10-22-19(15)20(16)26/h4-11,18,26H,1-3H3,(H,23,25).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide has a molecular weight of 369.85 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 2922155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).