1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C16H19BrN2O2 — CID 64868528

IUPAC1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(Br)c(C(=O)C3CCCN3)cc21
InChIInChI=1S/C16H19BrN2O2/c1-10(20)19-7-3-4-11-8-13(17)12(9-15(11)19)16(21)14-5-2-6-18-14/h8-9,14,18H,2-7H2,1H3
InChIKeyLUDHGYMCAVXISX-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.68
Rot. Bonds2

About 1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 64868528) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID64868528
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(Br)c(C(=O)C3CCCN3)cc21
InChIInChI=1S/C16H19BrN2O2/c1-10(20)19-7-3-4-11-8-13(17)12(9-15(11)19)16(21)14-5-2-6-18-14/h8-9,14,18H,2-7H2,1H3
InChIKeyLUDHGYMCAVXISX-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone
CID 81473912
1-[6-bromo-7-(chloromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 43164780
1-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157415
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one
CID 83154759
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one
CID 43164765
1-[5-(pyrrolidin-2-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 82340900
(5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119280340
1-(6-hydroxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 14338804
1-(7-fluoro-6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 132513887
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 55002826
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043

Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 64868528) is 1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCCc2cc(Br)c(C(=O)C3CCCN3)cc21.
What is the InChIKey of 1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is LUDHGYMCAVXISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10(20)19-7-3-4-11-8-13(17)12(9-15(11)19)16(21)14-5-2-6-18-14/h8-9,14,18H,2-7H2,1H3.
What are the key properties of 1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 351.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 64868528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).