4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride

C15H15Cl2NO4 — CID 155235624

IUPAC4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride
SMILESCOCCCOc1cc2ncc(C(=O)Cl)c(Cl)c2cc1OC
InChIInChI=1S/C15H15Cl2NO4/c1-20-4-3-5-22-13-7-11-9(6-12(13)21-2)14(16)10(8-18-11)15(17)19/h6-8H,3-5H2,1-2H3
InChIKeyNKMCSUOOFYQZIM-UHFFFAOYSA-N
MW344.19 g/mol
LogP3.69
Rot. Bonds7

About 4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride

4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride (PubChem CID 155235624) has the molecular formula C15H15Cl2NO4 and a molecular weight of 344.19 g/mol. Its IUPAC name is 4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride
PubChem CID155235624
Molecular FormulaC15H15Cl2NO4
Molecular Weight344.19 g/mol
Exact Mass343.04
IUPAC Name4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride
SMILESCOCCCOc1cc2ncc(C(=O)Cl)c(Cl)c2cc1OC
InChIInChI=1S/C15H15Cl2NO4/c1-20-4-3-5-22-13-7-11-9(6-12(13)21-2)14(16)10(8-18-11)15(17)19/h6-8H,3-5H2,1-2H3
InChIKeyNKMCSUOOFYQZIM-UHFFFAOYSA-N
XLogP3.69
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410
6-bromo-4-chloro-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride;6-bromo-7-(3-methoxypropoxy)-4-oxo-1H-quinoline-3-carboxylic acid;phosphoryl trichloride
CID 167592119
5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride
CID 146330375
methane;4-methoxy-3-(3-methoxypropoxy)benzoic acid;4-methoxy-3-(3-methoxypropoxy)benzoyl chloride
CID 157266381
4-chloro-7-(4-chlorobutoxy)-6-methoxyquinoline-3-carbonitrile
CID 11727096
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
7-methoxy-6-(3-methoxypropoxy)quinazoline
CID 175806102
2-chloro-6-methoxy-7-(2-methoxyethoxy)quinoxaline
CID 142746011
2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
CID 118112159
3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid
CID 163197326
4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid
CID 81225924
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride?
The IUPAC name of 4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride (CID 155235624) is 4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride.
What is the SMILES notation for 4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride?
The canonical SMILES for 4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride is COCCCOc1cc2ncc(C(=O)Cl)c(Cl)c2cc1OC.
What is the InChIKey of 4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride?
The InChIKey is NKMCSUOOFYQZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO4/c1-20-4-3-5-22-13-7-11-9(6-12(13)21-2)14(16)10(8-18-11)15(17)19/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride?
4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride has a molecular weight of 344.19 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride is sourced from PubChem (CID 155235624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).