N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide

C18H14ClN3O4 — CID 59201782

IUPACN-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide
SMILESCC(=O)NC(c1cccc(Cl)c1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C18H14ClN3O4/c1-10(23)21-16(11-4-2-5-12(19)8-11)14-9-15(22(25)26)13-6-3-7-20-17(13)18(14)24/h2-9,16,24H,1H3,(H,21,23)
InChIKeyREUXAVVRYJADSV-UHFFFAOYSA-N
MW371.78 g/mol
LogP3.73
Rot. Bonds4

About N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide

N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide (PubChem CID 59201782) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide
PubChem CID59201782
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC NameN-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide
SMILESCC(=O)NC(c1cccc(Cl)c1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C18H14ClN3O4/c1-10(23)21-16(11-4-2-5-12(19)8-11)14-9-15(22(25)26)13-6-3-7-20-17(13)18(14)24/h2-9,16,24H,1H3,(H,21,23)
InChIKeyREUXAVVRYJADSV-UHFFFAOYSA-N
XLogP3.73
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 53.73
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-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 1312452
N-[(S)-(4-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
CID 1084548
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate
CID 7318945
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]acetamide
CID 2920402
N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
CID 2920281
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]pentanamide
CID 46499581
tert-butyl N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]carbamate
CID 171504697
N-[(R)-1,3-benzodioxol-5-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]butanamide
CID 2054419
N-[(8-hydroxy-5-nitroquinolin-7-yl)-thiophen-2-ylmethyl]butanamide
CID 2921187
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 92849369
1-cyclobutyl-3-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]urea
CID 171504695

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide (CID 59201782) is N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide is CC(=O)NC(c1cccc(Cl)c1)c1cc([N+](=O)[O-])c2cccnc2c1O.
What is the InChIKey of N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide?
The InChIKey is REUXAVVRYJADSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-10(23)21-16(11-4-2-5-12(19)8-11)14-9-15(22(25)26)13-6-3-7-20-17(13)18(14)24/h2-9,16,24H,1H3,(H,21,23).
What are the key properties of N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide?
N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide has a molecular weight of 371.78 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide is sourced from PubChem (CID 59201782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).