1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one

C16H20ClNO2 — CID 82259061

IUPAC1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCc2cc(C(=O)C(C)Cl)ccc21
InChIInChI=1S/C16H20ClNO2/c1-3-5-15(19)18-9-4-6-12-10-13(7-8-14(12)18)16(20)11(2)17/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyAWPBOQGRDXPZDN-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.58
Rot. Bonds4

About 1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one

1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one (PubChem CID 82259061) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
PubChem CID82259061
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCc2cc(C(=O)C(C)Cl)ccc21
InChIInChI=1S/C16H20ClNO2/c1-3-5-15(19)18-9-4-6-12-10-13(7-8-14(12)18)16(20)11(2)17/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyAWPBOQGRDXPZDN-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one 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

1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
2-bromo-1-(1-butanoyl-2,3-dihydroindol-5-yl)pentan-1-one
CID 82258792
1-butanoyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 82021448
1-[6-(2-bromo-2-methylpropanoyl)-3,4-dihydro-2H-quinolin-1-yl]pentan-1-one
CID 82258964
2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one
CID 82258697
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
2-bromo-3-methyl-1-(1-pentanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82258864
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82260070
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-bromobutan-1-one
CID 82136334
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 114873454

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one?
The IUPAC name of 1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one (CID 82259061) is 1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one.
What is the SMILES notation for 1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one?
The canonical SMILES for 1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one is CCCC(=O)N1CCCc2cc(C(=O)C(C)Cl)ccc21.
What is the InChIKey of 1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one?
The InChIKey is AWPBOQGRDXPZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-3-5-15(19)18-9-4-6-12-10-13(7-8-14(12)18)16(20)11(2)17/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one?
1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one has a molecular weight of 293.79 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one is sourced from PubChem (CID 82259061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).