1,4-dihydroquinoline-3-carbonyl chloride

C10H8ClNO — CID 131988217

IUPAC1,4-dihydroquinoline-3-carbonyl chloride
SMILESO=C(Cl)C1=CNc2ccccc2C1
InChIInChI=1S/C10H8ClNO/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-4,6,12H,5H2
InChIKeyAQOIZJNMUMHLIL-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.30
Rot. Bonds1

About 1,4-dihydroquinoline-3-carbonyl chloride

1,4-dihydroquinoline-3-carbonyl chloride (PubChem CID 131988217) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 1,4-dihydroquinoline-3-carbonyl chloride.

Molecular Properties

Compound Name1,4-dihydroquinoline-3-carbonyl chloride
PubChem CID131988217
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name1,4-dihydroquinoline-3-carbonyl chloride
SMILESO=C(Cl)C1=CNc2ccccc2C1
InChIInChI=1S/C10H8ClNO/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-4,6,12H,5H2
InChIKeyAQOIZJNMUMHLIL-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.30
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

1,4-dihydroquinoline-3-carboxamide;hydrate
CID 172810092
phenyl 1,4-dihydroquinoline-3-carboxylate
CID 154399679
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CID 137366999
acetic acid;1,3-dihydroindol-2-one
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1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 140520680
2-chloro-1,3-dihydroindole-2-carboxylic acid
CID 57188520
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
1,4-dihydrocinnoline-3-carboxamide
CID 89488253
11,13-dihydro-6H-indolo[2,1-c][1,4]benzodiazepine
CID 70446140
1,3-dihydroindol-2-one;ethane
CID 54350510
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
9,10-dihydroanthracene-9-carbonyl chloride
CID 14248600

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroquinoline-3-carbonyl chloride?
The IUPAC name of 1,4-dihydroquinoline-3-carbonyl chloride (CID 131988217) is 1,4-dihydroquinoline-3-carbonyl chloride.
What is the SMILES notation for 1,4-dihydroquinoline-3-carbonyl chloride?
The canonical SMILES for 1,4-dihydroquinoline-3-carbonyl chloride is O=C(Cl)C1=CNc2ccccc2C1.
What is the InChIKey of 1,4-dihydroquinoline-3-carbonyl chloride?
The InChIKey is AQOIZJNMUMHLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-4,6,12H,5H2.
What are the key properties of 1,4-dihydroquinoline-3-carbonyl chloride?
1,4-dihydroquinoline-3-carbonyl chloride has a molecular weight of 193.63 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroquinoline-3-carbonyl chloride is sourced from PubChem (CID 131988217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).