[6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone

C18H24BrNO2 — CID 82259331

IUPAC[6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone
SMILESCCC(Br)Cc1ccc2c(c1)CCCN2C(=O)C1CCCO1
InChIInChI=1S/C18H24BrNO2/c1-2-15(19)12-13-7-8-16-14(11-13)5-3-9-20(16)18(21)17-6-4-10-22-17/h7-8,11,15,17H,2-6,9-10,12H2,1H3
InChIKeyLCDKTXKEJBJGSR-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.86
Rot. Bonds4

About [6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone

[6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 82259331) has the molecular formula C18H24BrNO2 and a molecular weight of 366.30 g/mol. Its IUPAC name is [6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone
PubChem CID82259331
Molecular FormulaC18H24BrNO2
Molecular Weight366.30 g/mol
Exact Mass365.10
IUPAC Name[6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone
SMILESCCC(Br)Cc1ccc2c(c1)CCCN2C(=O)C1CCCO1
InChIInChI=1S/C18H24BrNO2/c1-2-15(19)12-13-7-8-16-14(11-13)5-3-9-20(16)18(21)17-6-4-10-22-17/h7-8,11,15,17H,2-6,9-10,12H2,1H3
InChIKeyLCDKTXKEJBJGSR-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(2-bromobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259297
oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 134030083
(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
CID 110714045
1-[6-(2-bromo-4-methylpentyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82259523
1-[6-(2-bromo-3-methylbutyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82255035
[6-(2-aminopentyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259904
(5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone
CID 62213133
N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301181
[5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone
CID 82259504
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-bromobutan-1-one
CID 82136334
[5-(2-bromobutyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
CID 82259316
[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259205

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone (CID 82259331) is [6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone is CCC(Br)Cc1ccc2c(c1)CCCN2C(=O)C1CCCO1.
What is the InChIKey of [6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is LCDKTXKEJBJGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO2/c1-2-15(19)12-13-7-8-16-14(11-13)5-3-9-20(16)18(21)17-6-4-10-22-17/h7-8,11,15,17H,2-6,9-10,12H2,1H3.
What are the key properties of [6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone?
[6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 366.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 82259331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).