1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone

C18H18BrNO — CID 63532356

IUPAC1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC(C)Cc3ccccc32)c(Br)c1
InChIInChI=1S/C18H18BrNO/c1-12-9-15-5-3-4-6-17(15)20(11-12)18-8-7-14(13(2)21)10-16(18)19/h3-8,10,12H,9,11H2,1-2H3
InChIKeyKPCPSSUVRSTVNT-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.98
Rot. Bonds2

About 1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone

1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone (PubChem CID 63532356) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone
PubChem CID63532356
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC(C)Cc3ccccc32)c(Br)c1
InChIInChI=1S/C18H18BrNO/c1-12-9-15-5-3-4-6-17(15)20(11-12)18-8-7-14(13(2)21)10-16(18)19/h3-8,10,12H,9,11H2,1-2H3
InChIKeyKPCPSSUVRSTVNT-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone
CID 62908654
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63535829
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 65342629
5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63423175
5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63535830
1-[3-bromo-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]phenyl]ethanone
CID 81204142
1-(3-bromo-4-thiomorpholin-4-ylphenyl)ethanone
CID 62908802
2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide
CID 107279308
2-bromo-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-thiadiazole
CID 64622242
[4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol
CID 114845625
1-[3-bromo-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanone
CID 102781698
1-(6-chloro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63587479

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone (CID 63532356) is 1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CC(C)Cc3ccccc32)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone?
The InChIKey is KPCPSSUVRSTVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-12-9-15-5-3-4-6-17(15)20(11-12)18-8-7-14(13(2)21)10-16(18)19/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone?
1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone has a molecular weight of 344.25 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone is sourced from PubChem (CID 63532356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).