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

C12H13BrClNO — CID 82490244

IUPAC1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCCC(=O)N1CCCc2cc(Cl)cc(Br)c21
InChIInChI=1S/C12H13BrClNO/c1-2-11(16)15-5-3-4-8-6-9(14)7-10(13)12(8)15/h6-7H,2-5H2,1H3
InChIKeyHTFXECQBDJZCGB-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.79
Rot. Bonds1

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

1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 82490244) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID82490244
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC Name1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCCC(=O)N1CCCc2cc(Cl)cc(Br)c21
InChIInChI=1S/C12H13BrClNO/c1-2-11(16)15-5-3-4-8-6-9(14)7-10(13)12(8)15/h6-7H,2-5H2,1H3
InChIKeyHTFXECQBDJZCGB-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.79
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)-2-chloroethanone
CID 82490299
1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 82483276
2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone
CID 82489732
1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one
CID 82490326
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
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
tert-butyl 3-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxylate
CID 170428843
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27604865
5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834649
1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 4005404
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)cyclopropanecarboxamide
CID 40829046

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 82490244) is 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is CCC(=O)N1CCCc2cc(Cl)cc(Br)c21.
What is the InChIKey of 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is HTFXECQBDJZCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c1-2-11(16)15-5-3-4-8-6-9(14)7-10(13)12(8)15/h6-7H,2-5H2,1H3.
What are the key properties of 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 302.60 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 82490244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).