2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide

C19H17N3O4 — CID 133429749

IUPAC2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])c3cccnc23)cc1
InChIInChI=1S/C19H17N3O4/c1-12(2)19(23)21-13-5-7-14(8-6-13)26-17-10-9-16(22(24)25)15-4-3-11-20-18(15)17/h3-12H,1-2H3,(H,21,23)
InChIKeyZVQHYXGHQZGSNV-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.53
Rot. Bonds5

About 2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide

2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide (PubChem CID 133429749) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide
PubChem CID133429749
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])c3cccnc23)cc1
InChIInChI=1S/C19H17N3O4/c1-12(2)19(23)21-13-5-7-14(8-6-13)26-17-10-9-16(22(24)25)15-4-3-11-20-18(15)17/h3-12H,1-2H3,(H,21,23)
InChIKeyZVQHYXGHQZGSNV-UHFFFAOYSA-N
XLogP4.53
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(4-iodophenoxy)-5-nitroquinoline
CID 60726010
2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide
CID 133348005
N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23931205
2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
CID 23935853
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
(5-nitroquinolin-8-yl) 2-methylprop-2-enoate
CID 19748562
N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23799987
(5-nitroquinolin-8-yl) N,N-diethylcarbamate
CID 175460748
methyl 2-(8-nitroquinolin-5-yl)oxypropanoate
CID 116524927
N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide
CID 133348022
1-(5-nitroquinolin-8-yl)propan-2-one
CID 63199171
4-(8-nitroquinolin-5-yl)oxyaniline
CID 8002854

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide (CID 133429749) is 2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide is CC(C)C(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])c3cccnc23)cc1.
What is the InChIKey of 2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide?
The InChIKey is ZVQHYXGHQZGSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12(2)19(23)21-13-5-7-14(8-6-13)26-17-10-9-16(22(24)25)15-4-3-11-20-18(15)17/h3-12H,1-2H3,(H,21,23).
What are the key properties of 2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide?
2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide has a molecular weight of 351.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide is sourced from PubChem (CID 133429749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).