6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride

C11H8ClNO3 — CID 172818183

IUPAC6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
SMILESCOc1ccc2[nH]cc(C(=O)Cl)c(=O)c2c1
InChIInChI=1S/C11H8ClNO3/c1-16-6-2-3-9-7(4-6)10(14)8(5-13-9)11(12)15/h2-5H,1H3,(H,13,14)
InChIKeyTVWOOCVDVDWTHD-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.92
Rot. Bonds2

About 6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride

6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride (PubChem CID 172818183) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride.

Molecular Properties

Compound Name6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
PubChem CID172818183
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
SMILESCOc1ccc2[nH]cc(C(=O)Cl)c(=O)c2c1
InChIInChI=1S/C11H8ClNO3/c1-16-6-2-3-9-7(4-6)10(14)8(5-13-9)11(12)15/h2-5H,1H3,(H,13,14)
InChIKeyTVWOOCVDVDWTHD-UHFFFAOYSA-N
XLogP1.92
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 42585812
6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172682995
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one
CID 89426524
6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831869
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride?
The IUPAC name of 6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride (CID 172818183) is 6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride.
What is the SMILES notation for 6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride?
The canonical SMILES for 6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride is COc1ccc2[nH]cc(C(=O)Cl)c(=O)c2c1.
What is the InChIKey of 6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride?
The InChIKey is TVWOOCVDVDWTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-16-6-2-3-9-7(4-6)10(14)8(5-13-9)11(12)15/h2-5H,1H3,(H,13,14).
What are the key properties of 6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride?
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride has a molecular weight of 237.64 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride is sourced from PubChem (CID 172818183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).