2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide

C13H11Cl2FN2O3 — CID 166430945

IUPAC2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide
SMILESCOc1cc2ncc(NC(=O)C(F)Cl)c(Cl)c2cc1OC
InChIInChI=1S/C13H11Cl2FN2O3/c1-20-9-3-6-7(4-10(9)21-2)17-5-8(11(6)14)18-13(19)12(15)16/h3-5,12H,1-2H3,(H,18,19)
InChIKeyFXMAKJHAICPJJU-UHFFFAOYSA-N
MW333.15 g/mol
LogP3.38
Rot. Bonds4

About 2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide

2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide (PubChem CID 166430945) has the molecular formula C13H11Cl2FN2O3 and a molecular weight of 333.15 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide
PubChem CID166430945
Molecular FormulaC13H11Cl2FN2O3
Molecular Weight333.15 g/mol
Exact Mass332.01
IUPAC Name2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide
SMILESCOc1cc2ncc(NC(=O)C(F)Cl)c(Cl)c2cc1OC
InChIInChI=1S/C13H11Cl2FN2O3/c1-20-9-3-6-7(4-10(9)21-2)17-5-8(11(6)14)18-13(19)12(15)16/h3-5,12H,1-2H3,(H,18,19)
InChIKeyFXMAKJHAICPJJU-UHFFFAOYSA-N
XLogP3.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410
1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea
CID 19754489
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) acetate
CID 59164220
4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride
CID 155235624
methyl 4-chloro-7-methoxy-3-nitroquinoline-6-carboxylate
CID 169128533
methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate
CID 102614409
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) 2,2-dimethylpropanoate
CID 141337524
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
(4-chloro-7-methoxyquinolin-6-yl)carbamic acid
CID 22936428
2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline
CID 171373255
N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide
CID 58525533

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide?
The IUPAC name of 2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide (CID 166430945) is 2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide?
The canonical SMILES for 2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide is COc1cc2ncc(NC(=O)C(F)Cl)c(Cl)c2cc1OC.
What is the InChIKey of 2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide?
The InChIKey is FXMAKJHAICPJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O3/c1-20-9-3-6-7(4-10(9)21-2)17-5-8(11(6)14)18-13(19)12(15)16/h3-5,12H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide?
2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide has a molecular weight of 333.15 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide is sourced from PubChem (CID 166430945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).