N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide

C18H15N3O4 — CID 2872206

IUPACN-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide
SMILESCC(=O)NC(c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H15N3O4/c1-11(22)20-16(13-4-2-6-14(10-13)21(24)25)15-8-7-12-5-3-9-19-17(12)18(15)23/h2-10,16,23H,1H3,(H,20,22)
InChIKeyJBYQCHQCGWMKCN-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.07
Rot. Bonds4

About N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide

N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide (PubChem CID 2872206) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide
PubChem CID2872206
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide
SMILESCC(=O)NC(c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H15N3O4/c1-11(22)20-16(13-4-2-6-14(10-13)21(24)25)15-8-7-12-5-3-9-19-17(12)18(15)23/h2-10,16,23H,1H3,(H,20,22)
InChIKeyJBYQCHQCGWMKCN-UHFFFAOYSA-N
XLogP3.07
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-((5-chloro-8-hydroxyquinolin-7-yl)(phenyl)methyl)acetamide
CID 2921493
Mls002637543
CID 219563
N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide
CID 2876872
GNF-Pf-3257
CID 2876611
N-[(8-hydroxyquinolin-7-yl)(phenyl)methyl]pentanamide
CID 3129244
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
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-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide (CID 2872206) is N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide is CC(=O)NC(c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide?
The InChIKey is JBYQCHQCGWMKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-11(22)20-16(13-4-2-6-14(10-13)21(24)25)15-8-7-12-5-3-9-19-17(12)18(15)23/h2-10,16,23H,1H3,(H,20,22).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide?
N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 2872206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).