2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride

C18H12ClNO3 — CID 46779784

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12
InChIInChI=1S/C18H12ClNO3/c19-18(21)13-10-15(20-14-4-2-1-3-12(13)14)11-5-6-16-17(9-11)23-8-7-22-16/h1-6,9-10H,7-8H2
InChIKeyQIJBWABLTHWMFS-UHFFFAOYSA-N
MW325.75 g/mol
LogP4.05
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride

2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride (PubChem CID 46779784) has the molecular formula C18H12ClNO3 and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
PubChem CID46779784
Molecular FormulaC18H12ClNO3
Molecular Weight325.75 g/mol
Exact Mass325.05
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12
InChIInChI=1S/C18H12ClNO3/c19-18(21)13-10-15(20-14-4-2-1-3-12(13)14)11-5-6-16-17(9-11)23-8-7-22-16/h1-6,9-10H,7-8H2
InChIKeyQIJBWABLTHWMFS-UHFFFAOYSA-N
XLogP4.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17372199
2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
CID 46779248
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide
CID 78856708
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline
CID 2620938
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide
CID 51172531
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800068
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
CID 4603899
2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid;phenylmethanamine
CID 19715615
N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 119615610
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]quinoline-4-carboxamide
CID 46536558
N-[(3-carbamoylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 32637632

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride (CID 46779784) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride is O=C(Cl)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride?
The InChIKey is QIJBWABLTHWMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO3/c19-18(21)13-10-15(20-14-4-2-1-3-12(13)14)11-5-6-16-17(9-11)23-8-7-22-16/h1-6,9-10H,7-8H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride has a molecular weight of 325.75 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 46779784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).