1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C12H13Cl2NO — CID 82483276

IUPAC1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCCC(=O)N1CCCc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H13Cl2NO/c1-2-11(16)15-5-3-4-8-6-9(13)7-10(14)12(8)15/h6-7H,2-5H2,1H3
InChIKeyJTYFCBIFTBXUNM-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.68
Rot. Bonds1

About 1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 82483276) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID82483276
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCCC(=O)N1CCCc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H13Cl2NO/c1-2-11(16)15-5-3-4-8-6-9(13)7-10(14)12(8)15/h6-7H,2-5H2,1H3
InChIKeyJTYFCBIFTBXUNM-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 82490244
1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone
CID 82490299
N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide
CID 24877939
methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate
CID 82479218
1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 82483275
N-(2-chloro-4-methylsulfonylphenyl)-2-[2-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 71148174
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27604865
1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82263716
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 27604773
1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one
CID 82490326
2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone
CID 82489732

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 82483276) is 1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is CCC(=O)N1CCCc2cc(Cl)cc(Cl)c21.
What is the InChIKey of 1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is JTYFCBIFTBXUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-2-11(16)15-5-3-4-8-6-9(13)7-10(14)12(8)15/h6-7H,2-5H2,1H3.
What are the key properties of 1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 258.15 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 82483276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).