N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide

C20H21N3O3 — CID 176719634

IUPACN-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCC(=O)NC(c1ccc(N(C)C)cc1)c1cc(O)c2cccnc2c1O
InChIInChI=1S/C20H21N3O3/c1-12(24)22-18(13-6-8-14(9-7-13)23(2)3)16-11-17(25)15-5-4-10-21-19(15)20(16)26/h4-11,18,25-26H,1-3H3,(H,22,24)
InChIKeySFSFEJUDDRNDQN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.94
Rot. Bonds4

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

N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide (PubChem CID 176719634) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide
PubChem CID176719634
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCC(=O)NC(c1ccc(N(C)C)cc1)c1cc(O)c2cccnc2c1O
InChIInChI=1S/C20H21N3O3/c1-12(24)22-18(13-6-8-14(9-7-13)23(2)3)16-11-17(25)15-5-4-10-21-19(15)20(16)26/h4-11,18,25-26H,1-3H3,(H,22,24)
InChIKeySFSFEJUDDRNDQN-UHFFFAOYSA-N
XLogP2.94
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]acetamide
CID 2920402
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 1118804
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide
CID 59201782
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 1312452
N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide
CID 176719635
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide
CID 3138762
7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7012609
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 24958912

Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide?
The IUPAC name of N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide (CID 176719634) is N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide is CC(=O)NC(c1ccc(N(C)C)cc1)c1cc(O)c2cccnc2c1O.
What is the InChIKey of N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide?
The InChIKey is SFSFEJUDDRNDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12(24)22-18(13-6-8-14(9-7-13)23(2)3)16-11-17(25)15-5-4-10-21-19(15)20(16)26/h4-11,18,25-26H,1-3H3,(H,22,24).
What are the key properties of N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide?
N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 176719634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).