2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid

C15H16BrNO3 — CID 120974954

IUPAC2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C15H16BrNO3/c16-10-3-6-13-9(8-10)2-1-7-17(13)14(18)11-4-5-12(11)15(19)20/h3,6,8,11-12H,1-2,4-5,7H2,(H,19,20)
InChIKeyBDGLBBMZDLCOIA-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.84
Rot. Bonds2

About 2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid

2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 120974954) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID120974954
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C15H16BrNO3/c16-10-3-6-13-9(8-10)2-1-7-17(13)14(18)11-4-5-12(11)15(19)20/h3,6,8,11-12H,1-2,4-5,7H2,(H,19,20)
InChIKeyBDGLBBMZDLCOIA-UHFFFAOYSA-N
XLogP2.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976101
trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119924
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
tert-butyl 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-1-carboxylate
CID 55978207
(5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119280340
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 60537839
1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 63714163
(5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone
CID 119280350
2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 56582877
(1R,6S)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 1225798
2-bromo-1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropan-1-one
CID 82258968
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 79750528

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid (CID 120974954) is 2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)N1CCCc2cc(Br)ccc21.
What is the InChIKey of 2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is BDGLBBMZDLCOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c16-10-3-6-13-9(8-10)2-1-7-17(13)14(18)11-4-5-12(11)15(19)20/h3,6,8,11-12H,1-2,4-5,7H2,(H,19,20).
What are the key properties of 2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid?
2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 338.20 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).