N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide

C18H14ClN3O5 — CID 134334020

IUPACN-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide
SMILESCOc1cc2nccc(Oc3ccc([N+](=O)[O-])c(Cl)c3)c2cc1NC(C)=O
InChIInChI=1S/C18H14ClN3O5/c1-10(23)21-15-8-12-14(9-18(15)26-2)20-6-5-17(12)27-11-3-4-16(22(24)25)13(19)7-11/h3-9H,1-2H3,(H,21,23)
InChIKeyDZEGGRFJTMBLHH-UHFFFAOYSA-N
MW387.78 g/mol
LogP4.56
Rot. Bonds5

About N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide

N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide (PubChem CID 134334020) has the molecular formula C18H14ClN3O5 and a molecular weight of 387.78 g/mol. Its IUPAC name is N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide
PubChem CID134334020
Molecular FormulaC18H14ClN3O5
Molecular Weight387.78 g/mol
Exact Mass387.06
IUPAC NameN-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide
SMILESCOc1cc2nccc(Oc3ccc([N+](=O)[O-])c(Cl)c3)c2cc1NC(C)=O
InChIInChI=1S/C18H14ClN3O5/c1-10(23)21-15-8-12-14(9-18(15)26-2)20-6-5-17(12)27-11-3-4-16(22(24)25)13(19)7-11/h3-9H,1-2H3,(H,21,23)
InChIKeyDZEGGRFJTMBLHH-UHFFFAOYSA-N
XLogP4.56
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide 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

4-(3-chloro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 134333908
[4-(6-acetamido-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl] thiocyanate
CID 134334016
4-(4-chloro-3-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 22936444
4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride
CID 133054183
4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane
CID 142137161
4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol
CID 135621708
[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
CID 68668429
[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid
CID 155172684
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 171394597
4-[4-(carbamothioylamino)-3-chlorophenoxy]-N-hydroxy-7-methoxyquinoline-6-carboxamide
CID 145166681
(4-chloro-7-methoxyquinolin-6-yl)carbamic acid
CID 22936428
1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 88925883

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide?
The IUPAC name of N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide (CID 134334020) is N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide.
What is the SMILES notation for N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide?
The canonical SMILES for N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide is COc1cc2nccc(Oc3ccc([N+](=O)[O-])c(Cl)c3)c2cc1NC(C)=O.
What is the InChIKey of N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide?
The InChIKey is DZEGGRFJTMBLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O5/c1-10(23)21-15-8-12-14(9-18(15)26-2)20-6-5-17(12)27-11-3-4-16(22(24)25)13(19)7-11/h3-9H,1-2H3,(H,21,23).
What are the key properties of N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide?
N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide has a molecular weight of 387.78 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide is sourced from PubChem (CID 134334020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).