7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride

C10H5Cl2NO2 — CID 54380984

IUPAC7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C10H5Cl2NO2/c11-5-1-2-6-8(3-5)13-4-7(9(6)14)10(12)15/h1-4H,(H,13,14)
InChIKeyUZWINQJCKNAAFE-UHFFFAOYSA-N
MW242.06 g/mol
LogP2.56
Rot. Bonds1

About 7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride

7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride (PubChem CID 54380984) has the molecular formula C10H5Cl2NO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride.

Molecular Properties

Compound Name7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
PubChem CID54380984
Molecular FormulaC10H5Cl2NO2
Molecular Weight242.06 g/mol
Exact Mass240.97
IUPAC Name7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C10H5Cl2NO2/c11-5-1-2-6-8(3-5)13-4-7(9(6)14)10(12)15/h1-4H,(H,13,14)
InChIKeyUZWINQJCKNAAFE-UHFFFAOYSA-N
XLogP2.56
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 7-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 76851313
6-chloro-1H-indole-3-carboxamide
CID 130666489
CID 170645729
CID 170645729
2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84700341
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137208298
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172682995
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
6-chloro-4-oxo-1H-quinoline-3-carboxamide
CID 601266
7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 69006677
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride?
The IUPAC name of 7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride (CID 54380984) is 7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride.
What is the SMILES notation for 7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride?
The canonical SMILES for 7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride is O=C(Cl)c1c[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride?
The InChIKey is UZWINQJCKNAAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2/c11-5-1-2-6-8(3-5)13-4-7(9(6)14)10(12)15/h1-4H,(H,13,14).
What are the key properties of 7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride?
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride has a molecular weight of 242.06 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride is sourced from PubChem (CID 54380984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).