N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide

C25H21N3O5 — CID 67171815

IUPACN-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide
SMILESCc1ccccc1C(NC(=O)COc1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C25H21N3O5/c1-16-8-5-6-11-18(16)23(27-22(29)15-33-17-9-3-2-4-10-17)20-14-21(28(31)32)19-12-7-13-26-24(19)25(20)30/h2-14,23,30H,15H2,1H3,(H,27,29)
InChIKeyYKXCIKPXTJZPIN-UHFFFAOYSA-N
MW443.46 g/mol
LogP4.44
Rot. Bonds7

About N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide

N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide (PubChem CID 67171815) has the molecular formula C25H21N3O5 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide
PubChem CID67171815
Molecular FormulaC25H21N3O5
Molecular Weight443.46 g/mol
Exact Mass443.15
IUPAC NameN-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide
SMILESCc1ccccc1C(NC(=O)COc1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C25H21N3O5/c1-16-8-5-6-11-18(16)23(27-22(29)15-33-17-9-3-2-4-10-17)20-14-21(28(31)32)19-12-7-13-26-24(19)25(20)30/h2-14,23,30H,15H2,1H3,(H,27,29)
InChIKeyYKXCIKPXTJZPIN-UHFFFAOYSA-N
XLogP4.44
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide
CID 24957416
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 92849369
N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 2294080
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 161339041
N-[(S)-(4-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
CID 1084548
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]pentanamide
CID 46499581
N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
CID 2920281
N-[(8-hydroxy-5-nitroquinolin-7-yl)-thiophen-2-ylmethyl]butanamide
CID 2921187
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenoxyacetamide
CID 4609641
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 1312452
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide
CID 1320053
N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide
CID 24958914

Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide (CID 67171815) is N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide is Cc1ccccc1C(NC(=O)COc1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide?
The InChIKey is YKXCIKPXTJZPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O5/c1-16-8-5-6-11-18(16)23(27-22(29)15-33-17-9-3-2-4-10-17)20-14-21(28(31)32)19-12-7-13-26-24(19)25(20)30/h2-14,23,30H,15H2,1H3,(H,27,29).
What are the key properties of N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide?
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide has a molecular weight of 443.46 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 67171815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).